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

Systemtic Name: 3,4-dimethoxy-N-[2-oxidanylidene-2-[4-(phenylmethyl)piperazin-4-ium-1-yl]ethyl]-N-(phenylmethyl)benzenesulfonamide Openeye Name: N-benzyl-N-[2-(4-benzylpiperazin-4-ium-1-yl)-2-oxo-ethyl]-3,4-dimethoxy-benzenesulfonamide CAS Name: 3,4-dimethoxy-N-[2-oxo-2-[4-(phenylmethyl)-1-piperazin-4-iumyl]ethyl]-N-(phenylmethyl)benzenesulfonamide IUPAC Name: N-benzyl-N-[2-(4-benzylpiperazin-4-ium-1-yl)-2-oxoethyl]-3,4-dimethoxybenzenesulfonamide Traditional Name: N-benzyl-N-[2-(4-benzylpiperazin-4-ium-1-yl)-2-keto-ethyl]-3,4-dimethoxy-benzenesulfonamide Formula: C28H34N3O5S+ MolecularWeight: 524.65166

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)N(CC2=CC=CC=C2)CC(=O)N3CC[NH+](CC3)CC4=CC=CC=C4)OC

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N(CC2=CC=CC=C2)CC(=O)N3CC[NH+](CC3)CC4=CC=CC=C4)OC

InChI

InChI=1S/C28H33N3O5S/c1-35-26-14-13-25(19-27(26)36-2)37(33,34)31(21-24-11-7-4-8-12-24)22-28(32)30-17-15-29(16-18-30)20-23-9-5-3-6-10-23/h3-14,19H,15-18,20-22H2,1-2H3/p+1