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

Systemtic Name: N-(3,4-dimethoxyphenyl)-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]-N-(3,4-dimethoxyphenyl)benzenesulfonamide CAS Name: N-(3,4-dimethoxyphenyl)-N-[2-oxo-2-[4-(phenylmethyl)-1-piperazin-4-iumyl]ethyl]benzenesulfonamide IUPAC Name: N-[2-(4-benzylpiperazin-4-ium-1-yl)-2-oxoethyl]-N-(3,4-dimethoxyphenyl)benzenesulfonamide Traditional Name: N-[2-(4-benzylpiperazin-4-ium-1-yl)-2-keto-ethyl]-N-(3,4-dimethoxyphenyl)benzenesulfonamide Formula: C27H32N3O5S+ MolecularWeight: 510.62508

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)N(CC(=O)N2CC[NH+](CC2)CC3=CC=CC=C3)S(=O)(=O)C4=CC=CC=C4)OC

Isomeric SMILES

COC1=C(C=C(C=C1)N(CC(=O)N2CC[NH+](CC2)CC3=CC=CC=C3)S(=O)(=O)C4=CC=CC=C4)OC

InChI

InChI=1S/C27H31N3O5S/c1-34-25-14-13-23(19-26(25)35-2)30(36(32,33)24-11-7-4-8-12-24)21-27(31)29-17-15-28(16-18-29)20-22-9-5-3-6-10-22/h3-14,19H,15-18,20-21H2,1-2H3/p+1