3,4-dimethoxy-N-(4-methylphenyl)-N-[2-oxidanylidene-2-[4-(phenylmethyl)piperazin-4-ium-1-yl]ethyl]benzenesulfonamide

Systemtic Name: 3,4-dimethoxy-N-(4-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]-3,4-dimethoxy-N-(p-tolyl)benzenesulfonamide CAS Name: 3,4-dimethoxy-N-(4-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]-3,4-dimethoxy-N-(4-methylphenyl)benzenesulfonamide Traditional Name: N-[2-(4-benzylpiperazin-4-ium-1-yl)-2-keto-ethyl]-3,4-dimethoxy-N-(p-tolyl)benzenesulfonamide Formula: C28H34N3O5S+ MolecularWeight: 524.65166

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H33N3O5S/c1-22-9-11-24(12-10-22)31(37(33,34)25-13-14-26(35-2)27(19-25)36-3)21-28(32)30-17-15-29(16-18-30)20-23-7-5-4-6-8-23/h4-14,19H,15-18,20-21H2,1-3H3/p+1