2-methyl-5-[4-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)piperazin-4-ium-1-yl]carbonyl-N-(phenylmethyl)benzenesulfonamide

Systemtic Name: 2-methyl-5-[4-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)piperazin-4-ium-1-yl]carbonyl-N-(phenylmethyl)benzenesulfonamide Openeye Name: N-benzyl-2-methyl-5-[4-(2-oxo-2-pyrrolidin-1-yl-ethyl)piperazin-4-ium-1-carbonyl]benzenesulfonamide CAS Name: 2-methyl-5-[oxo-[4-[2-oxo-2-(1-pyrrolidinyl)ethyl]-1-piperazin-4-iumyl]methyl]-N-(phenylmethyl)benzenesulfonamide IUPAC Name: N-benzyl-2-methyl-5-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-4-ium-1-carbonyl]benzenesulfonamide Traditional Name: N-benzyl-5-[4-(2-keto-2-pyrrolidino-ethyl)piperazin-4-ium-1-carbonyl]-2-methyl-benzenesulfonamide Formula: C25H33N4O4S+ MolecularWeight: 485.61892

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)N2CC[NH+](CC2)CC(=O)N3CCCC3)S(=O)(=O)NCC4=CC=CC=C4

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)N2CC[NH+](CC2)CC(=O)N3CCCC3)S(=O)(=O)NCC4=CC=CC=C4

InChI

InChI=1S/C25H32N4O4S/c1-20-9-10-22(17-23(20)34(32,33)26-18-21-7-3-2-4-8-21)25(31)29-15-13-27(14-16-29)19-24(30)28-11-5-6-12-28/h2-4,7-10,17,26H,5-6,11-16,18-19H2,1H3/p+1