N-(4-methylphenyl)-3-[4-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)piperazin-4-ium-1-yl]carbonyl-benzenesulfonamide

Systemtic Name: N-(4-methylphenyl)-3-[4-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)piperazin-4-ium-1-yl]carbonyl-benzenesulfonamide Openeye Name: 3-[4-(2-oxo-2-pyrrolidin-1-yl-ethyl)piperazin-4-ium-1-carbonyl]-N-(p-tolyl)benzenesulfonamide CAS Name: N-(4-methylphenyl)-3-[oxo-[4-[2-oxo-2-(1-pyrrolidinyl)ethyl]-1-piperazin-4-iumyl]methyl]benzenesulfonamide IUPAC Name: N-(4-methylphenyl)-3-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-4-ium-1-carbonyl]benzenesulfonamide Traditional Name: 3-[4-(2-keto-2-pyrrolidino-ethyl)piperazin-4-ium-1-carbonyl]-N-(p-tolyl)benzenesulfonamide Formula: C24H31N4O4S+ MolecularWeight: 471.59234

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NS(=O)(=O)C2=CC=CC(=C2)C(=O)N3CC[NH+](CC3)CC(=O)N4CCCC4

Isomeric SMILES

CC1=CC=C(C=C1)NS(=O)(=O)C2=CC=CC(=C2)C(=O)N3CC[NH+](CC3)CC(=O)N4CCCC4

InChI

InChI=1S/C24H30N4O4S/c1-19-7-9-21(10-8-19)25-33(31,32)22-6-4-5-20(17-22)24(30)28-15-13-26(14-16-28)18-23(29)27-11-2-3-12-27/h4-10,17,25H,2-3,11-16,18H2,1H3/p+1