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

Systemtic Name: N-methyl-N-(4-methylphenyl)-3-[4-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)piperazin-4-ium-1-yl]carbonyl-benzenesulfonamide Openeye Name: N-methyl-3-[4-(2-oxo-2-pyrrolidin-1-yl-ethyl)piperazin-4-ium-1-carbonyl]-N-(p-tolyl)benzenesulfonamide CAS Name: N-methyl-N-(4-methylphenyl)-3-[oxo-[4-[2-oxo-2-(1-pyrrolidinyl)ethyl]-1-piperazin-4-iumyl]methyl]benzenesulfonamide IUPAC Name: N-methyl-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-methyl-N-(p-tolyl)benzenesulfonamide Formula: C25H33N4O4S+ MolecularWeight: 485.61892

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H32N4O4S/c1-20-8-10-22(11-9-20)26(2)34(32,33)23-7-5-6-21(18-23)25(31)29-16-14-27(15-17-29)19-24(30)28-12-3-4-13-28/h5-11,18H,3-4,12-17,19H2,1-2H3/p+1