(4-methylphenyl)-[4-[2-(4-methylpiperazin-4-ium-1-yl)-2-oxidanylidene-ethoxy]phenyl]sulfonyl-azanide

Systemtic Name: (4-methylphenyl)-[4-[2-(4-methylpiperazin-4-ium-1-yl)-2-oxidanylidene-ethoxy]phenyl]sulfonyl-azanide Openeye Name: [4-[2-(4-methylpiperazin-4-ium-1-yl)-2-oxo-ethoxy]phenyl]sulfonyl-(p-tolyl)azanide CAS Name: (4-methylphenyl)-[4-[2-(4-methyl-1-piperazin-4-iumyl)-2-oxoethoxy]phenyl]sulfonylazanide IUPAC Name: (4-methylphenyl)-[4-[2-(4-methylpiperazin-4-ium-1-yl)-2-oxoethoxy]phenyl]sulfonylazanide Traditional Name: [4-[2-keto-2-(4-methylpiperazin-4-ium-1-yl)ethoxy]phenyl]sulfonyl-(p-tolyl)azanide Formula: C20H25N3O4S MolecularWeight: 403.4952

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)[N-]S(=O)(=O)C2=CC=C(C=C2)OCC(=O)N3CC[NH+](CC3)C

Isomeric SMILES

CC1=CC=C(C=C1)[N-]S(=O)(=O)C2=CC=C(C=C2)OCC(=O)N3CC[NH+](CC3)C

InChI

InChI=1S/C20H24N3O4S/c1-16-3-5-17(6-4-16)21-28(25,26)19-9-7-18(8-10-19)27-15-20(24)23-13-11-22(2)12-14-23/h3-10H,11-15H2,1-2H3/q-1/p+1