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

Systemtic Name: 3,4-dimethoxy-N-[2-(4-methylpiperazin-4-ium-1-yl)-2-oxidanylidene-ethyl]-N-phenyl-benzenesulfonamide Openeye Name: 3,4-dimethoxy-N-[2-(4-methylpiperazin-4-ium-1-yl)-2-oxo-ethyl]-N-phenyl-benzenesulfonamide CAS Name: 3,4-dimethoxy-N-[2-(4-methyl-1-piperazin-4-iumyl)-2-oxoethyl]-N-phenylbenzenesulfonamide IUPAC Name: 3,4-dimethoxy-N-[2-(4-methylpiperazin-4-ium-1-yl)-2-oxoethyl]-N-phenylbenzenesulfonamide Traditional Name: N-[2-keto-2-(4-methylpiperazin-4-ium-1-yl)ethyl]-3,4-dimethoxy-N-phenyl-benzenesulfonamide Formula: C21H28N3O5S+ MolecularWeight: 434.52912

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C(=O)CN(C2=CC=CC=C2)S(=O)(=O)C3=CC(=C(C=C3)OC)OC

Isomeric SMILES

C[NH+]1CCN(CC1)C(=O)CN(C2=CC=CC=C2)S(=O)(=O)C3=CC(=C(C=C3)OC)OC

InChI

InChI=1S/C21H27N3O5S/c1-22-11-13-23(14-12-22)21(25)16-24(17-7-5-4-6-8-17)30(26,27)18-9-10-19(28-2)20(15-18)29-3/h4-10,15H,11-14,16H2,1-3H3/p+1