ethyl 5-(4-methylphenyl)sulfonyloxy-2-[(4-methylpiperazin-1-ium-1-yl)methyl]-1-phenylindole-3-carboxylate chloride

CAS: 88461-84-1

Molecular Formula	`C30H34ClN3O5S`
Molecular Weight	584.1 g/mol
Topological Polar Surface Area	90.7 A2
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	7
Rotatable Bonds	9
Exact Mass	583.1908
Heavy Atoms	40
Complexity	904.0

Chemical Identifiers

CAS Number	88461-84-1
SMILES	`CCOC(=O)C1=C(N(C2=C1C=C(C=C2)OS(=O)(=O)C3=CC=C(C=C3)C)C4=CC=CC=C4)C[NH+]5CCN(CC5)C.[Cl-]`
InChIKey	`ANPOJYICGPJFKJ-UHFFFAOYSA-N`

📖 Product Overview

ethyl 5-(4-methylphenyl)sulfonyloxy-2-[(4-methylpiperazin-1-ium-1-yl)methyl]-1-phenylindole-3-carboxylate chloride (CAS: 88461-84-1) is a chemical compound with molecular formula C30H34ClN3O5S and molecular weight 584.1 g/mol. Its IUPAC systematic name is ethyl 5-(4-methylphenyl)sulfonyloxy-2-[(4-methylpiperazin-1-ium-1-yl)methyl]-1-phenylindole-3-carboxylate chloride. Topological Polar Surface Area 90.7 A2 Hydrogen Bond Donors 1 Hydrogen Bond Acceptors 7 Rotatable Bonds 9 Exact Mass 583.1908 Heavy Atoms 40 Complexity 904.0 InChI Key: ANPOJYICGPJFKJ-UHFFFAOYSA-N. SMILES: CCOC(=O)C1=C(N(C2=C1C=C(C=C2)OS(=O)(=O)C3=CC=C(C=C3)C)C4=CC=CC=C4)C[NH+]5CCN(CC5)C.[Cl-].

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Safety Data Sheet (MSDS / SDS) View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.

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📚 Academic Support

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Technical Blog Article

Multi-source research profile: chemical properties, regulatory status, and sourcing guide for ethyl 5-(4-methylphenyl)sulfonyloxy-2-[(4-methylpiperazin-1-ium-1-yl)methyl]-1-phenylindole-3-carboxylate chloride.

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