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

Systemtic Name: 4-ethoxy-N-[2-(4-methylpiperazin-4-ium-1-yl)-2-oxidanylidene-ethyl]-N-phenyl-benzenesulfonamide Openeye Name: 4-ethoxy-N-[2-(4-methylpiperazin-4-ium-1-yl)-2-oxo-ethyl]-N-phenyl-benzenesulfonamide CAS Name: 4-ethoxy-N-[2-(4-methyl-1-piperazin-4-iumyl)-2-oxoethyl]-N-phenylbenzenesulfonamide IUPAC Name: 4-ethoxy-N-[2-(4-methylpiperazin-4-ium-1-yl)-2-oxoethyl]-N-phenylbenzenesulfonamide Traditional Name: 4-ethoxy-N-[2-keto-2-(4-methylpiperazin-4-ium-1-yl)ethyl]-N-phenyl-benzenesulfonamide Formula: C21H28N3O4S+ MolecularWeight: 418.52972

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)S(=O)(=O)N(CC(=O)N2CC[NH+](CC2)C)C3=CC=CC=C3

Isomeric SMILES

CCOC1=CC=C(C=C1)S(=O)(=O)N(CC(=O)N2CC[NH+](CC2)C)C3=CC=CC=C3

InChI

InChI=1S/C21H27N3O4S/c1-3-28-19-9-11-20(12-10-19)29(26,27)24(18-7-5-4-6-8-18)17-21(25)23-15-13-22(2)14-16-23/h4-12H,3,13-17H2,1-2H3/p+1