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

Systemtic Name: 4-chloranyl-N-(3-methylphenyl)-3-[4-(2-pyrrolidin-1-ium-1-ylethyl)piperazin-1-yl]carbonyl-benzenesulfonamide Openeye Name: 4-chloro-N-(m-tolyl)-3-[4-(2-pyrrolidin-1-ium-1-ylethyl)piperazine-1-carbonyl]benzenesulfonamide CAS Name: 4-chloro-N-(3-methylphenyl)-3-[oxo-[4-[2-(1-pyrrolidin-1-iumyl)ethyl]-1-piperazinyl]methyl]benzenesulfonamide IUPAC Name: 4-chloro-N-(3-methylphenyl)-3-[4-(2-pyrrolidin-1-ium-1-ylethyl)piperazine-1-carbonyl]benzenesulfonamide Traditional Name: 4-chloro-N-(m-tolyl)-3-[4-(2-pyrrolidin-1-ium-1-ylethyl)piperazine-1-carbonyl]benzenesulfonamide Formula: C24H32ClN4O3S+ MolecularWeight: 492.05388

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NS(=O)(=O)C2=CC(=C(C=C2)Cl)C(=O)N3CCN(CC3)CC[NH+]4CCCC4

Isomeric SMILES

CC1=CC(=CC=C1)NS(=O)(=O)C2=CC(=C(C=C2)Cl)C(=O)N3CCN(CC3)CC[NH+]4CCCC4

InChI

InChI=1S/C24H31ClN4O3S/c1-19-5-4-6-20(17-19)26-33(31,32)21-7-8-23(25)22(18-21)24(30)29-15-13-28(14-16-29)12-11-27-9-2-3-10-27/h4-8,17-18,26H,2-3,9-16H2,1H3/p+1