[3-ethoxycarbonyl-1-methyl-5-(4-methylphenyl)sulfonyloxyindol-2-yl]methyl-diethylazanium chloride

CAS: 88461-80-7

Molecular Formula	`C24H31ClN2O5S`
Molecular Weight	495.0 g/mol
Topological Polar Surface Area	87.4 A2
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	6
Rotatable Bonds	10
Exact Mass	494.1642
Heavy Atoms	33
Complexity	712.0

Chemical Identifiers

CAS Number	88461-80-7
SMILES	`CC[NH+](CC)CC1=C(C2=C(N1C)C=CC(=C2)OS(=O)(=O)C3=CC=C(C=C3)C)C(=O)OCC.[Cl-]`
InChIKey	`CZZPXWORFZRLMK-UHFFFAOYSA-N`

📖 Product Overview

[3-ethoxycarbonyl-1-methyl-5-(4-methylphenyl)sulfonyloxyindol-2-yl]methyl-diethylazanium chloride (CAS: 88461-80-7) is a chemical compound with molecular formula C24H31ClN2O5S and molecular weight 495.0 g/mol. Its IUPAC systematic name is [3-ethoxycarbonyl-1-methyl-5-(4-methylphenyl)sulfonyloxyindol-2-yl]methyl-diethylazanium chloride. Topological Polar Surface Area 87.4 A2 Hydrogen Bond Donors 1 Hydrogen Bond Acceptors 6 Rotatable Bonds 10 Exact Mass 494.1642 Heavy Atoms 33 Complexity 712.0 InChI Key: CZZPXWORFZRLMK-UHFFFAOYSA-N. SMILES: CC[NH+](CC)CC1=C(C2=C(N1C)C=CC(=C2)OS(=O)(=O)C3=CC=C(C=C3)C)C(=O)OCC.[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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