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

Systemtic Name: 2-methyl-5-[4-(2-oxidanylidene-2-piperidin-1-yl-ethyl)piperazin-4-ium-1-yl]carbonyl-N-(phenylmethyl)benzenesulfonamide Openeye Name: N-benzyl-2-methyl-5-[4-[2-oxo-2-(1-piperidyl)ethyl]piperazin-4-ium-1-carbonyl]benzenesulfonamide CAS Name: 2-methyl-5-[oxo-[4-[2-oxo-2-(1-piperidinyl)ethyl]-1-piperazin-4-iumyl]methyl]-N-(phenylmethyl)benzenesulfonamide IUPAC Name: N-benzyl-2-methyl-5-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-4-ium-1-carbonyl]benzenesulfonamide Traditional Name: N-benzyl-5-[4-(2-keto-2-piperidino-ethyl)piperazin-4-ium-1-carbonyl]-2-methyl-benzenesulfonamide Formula: C26H35N4O4S+ MolecularWeight: 499.6455

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)N2CC[NH+](CC2)CC(=O)N3CCCCC3)S(=O)(=O)NCC4=CC=CC=C4

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)N2CC[NH+](CC2)CC(=O)N3CCCCC3)S(=O)(=O)NCC4=CC=CC=C4

InChI

InChI=1S/C26H34N4O4S/c1-21-10-11-23(18-24(21)35(33,34)27-19-22-8-4-2-5-9-22)26(32)30-16-14-28(15-17-30)20-25(31)29-12-6-3-7-13-29/h2,4-5,8-11,18,27H,3,6-7,12-17,19-20H2,1H3/p+1