N-(4-ethoxyphenyl)-N-[2-(4-methylpiperazin-4-ium-1-yl)-2-oxidanylidene-ethyl]-4-methylsulfanyl-benzenesulfonamide

Systemtic Name: N-(4-ethoxyphenyl)-N-[2-(4-methylpiperazin-4-ium-1-yl)-2-oxidanylidene-ethyl]-4-methylsulfanyl-benzenesulfonamide Openeye Name: N-(4-ethoxyphenyl)-N-[2-(4-methylpiperazin-4-ium-1-yl)-2-oxo-ethyl]-4-methylsulfanyl-benzenesulfonamide CAS Name: N-(4-ethoxyphenyl)-N-[2-(4-methyl-1-piperazin-4-iumyl)-2-oxoethyl]-4-(methylthio)benzenesulfonamide IUPAC Name: N-(4-ethoxyphenyl)-N-[2-(4-methylpiperazin-4-ium-1-yl)-2-oxoethyl]-4-methylsulfanylbenzenesulfonamide Traditional Name: N-[2-keto-2-(4-methylpiperazin-4-ium-1-yl)ethyl]-4-(methylthio)-N-p-phenetyl-benzenesulfonamide Formula: C22H30N3O4S2+ MolecularWeight: 464.6213

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H29N3O4S2/c1-4-29-19-7-5-18(6-8-19)25(17-22(26)24-15-13-23(2)14-16-24)31(27,28)21-11-9-20(30-3)10-12-21/h5-12H,4,13-17H2,1-3H3/p+1