Compound C17H25N3O6S

4-[4-(acetylsulfamoyl)anilino]-4-oxobutanoate;piperidin-1-ium

CAS: 112997-68-9

Molecular Formula	`C17H25N3O6S`
Molecular Weight	399.5 g/mol
Topological Polar Surface Area	157.0 A2
Hydrogen Bond Donors	3
Hydrogen Bond Acceptors	6
Rotatable Bonds	5
Exact Mass	399.1464
Heavy Atoms	27
Complexity	528.0

Chemical Identifiers

CAS Number	112997-68-9
SMILES	`CC(=O)NS(=O)(=O)C1=CC=C(C=C1)NC(=O)CCC(=O)[O-].C1CC[NH2+]CC1`
InChIKey	`RJMZQNQKYMCPJN-UHFFFAOYSA-N`

📖 Product Overview

Compound C17H25N3O6S (CAS: 112997-68-9) is a chemical compound with molecular formula C17H25N3O6S and molecular weight 399.5 g/mol. Its IUPAC systematic name is 4-[4-(acetylsulfamoyl)anilino]-4-oxobutanoate;piperidin-1-ium. Topological Polar Surface Area 157.0 A2 Hydrogen Bond Donors 3 Hydrogen Bond Acceptors 6 Rotatable Bonds 5 Exact Mass 399.1464 Heavy Atoms 27 Complexity 528.0 InChI Key: RJMZQNQKYMCPJN-UHFFFAOYSA-N. SMILES: CC(=O)NS(=O)(=O)C1=CC=C(C=C1)NC(=O)CCC(=O)[O-].C1CC[NH2+]CC1.

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