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

Systemtic Name: 4-methyl-N-(2-methylphenyl)-N-[2-oxidanylidene-2-[4-(phenylmethyl)piperazin-4-ium-1-yl]ethyl]benzenesulfonamide Openeye Name: N-[2-(4-benzylpiperazin-4-ium-1-yl)-2-oxo-ethyl]-4-methyl-N-(o-tolyl)benzenesulfonamide CAS Name: 4-methyl-N-(2-methylphenyl)-N-[2-oxo-2-[4-(phenylmethyl)-1-piperazin-4-iumyl]ethyl]benzenesulfonamide IUPAC Name: N-[2-(4-benzylpiperazin-4-ium-1-yl)-2-oxoethyl]-4-methyl-N-(2-methylphenyl)benzenesulfonamide Traditional Name: N-[2-(4-benzylpiperazin-4-ium-1-yl)-2-keto-ethyl]-4-methyl-N-(o-tolyl)benzenesulfonamide Formula: C27H32N3O3S+ MolecularWeight: 478.62628

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N(CC(=O)N2CC[NH+](CC2)CC3=CC=CC=C3)C4=CC=CC=C4C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N(CC(=O)N2CC[NH+](CC2)CC3=CC=CC=C3)C4=CC=CC=C4C

InChI

InChI=1S/C27H31N3O3S/c1-22-12-14-25(15-13-22)34(32,33)30(26-11-7-6-8-23(26)2)21-27(31)29-18-16-28(17-19-29)20-24-9-4-3-5-10-24/h3-15H,16-21H2,1-2H3/p+1