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

Systemtic Name: [3-methyl-4-[2-(4-methylpiperazin-4-ium-1-yl)-2-oxidanylidene-ethoxy]phenyl]sulfonyl-(4-methylphenyl)azanide Openeye Name: [3-methyl-4-[2-(4-methylpiperazin-4-ium-1-yl)-2-oxo-ethoxy]phenyl]sulfonyl-(p-tolyl)azanide CAS Name: [3-methyl-4-[2-(4-methyl-1-piperazin-4-iumyl)-2-oxoethoxy]phenyl]sulfonyl-(4-methylphenyl)azanide IUPAC Name: [3-methyl-4-[2-(4-methylpiperazin-4-ium-1-yl)-2-oxoethoxy]phenyl]sulfonyl-(4-methylphenyl)azanide Traditional Name: [4-[2-keto-2-(4-methylpiperazin-4-ium-1-yl)ethoxy]-3-methyl-phenyl]sulfonyl-(p-tolyl)azanide Formula: C21H27N3O4S MolecularWeight: 417.52178

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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)C

Isomeric SMILES

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

InChI

InChI=1S/C21H26N3O4S/c1-16-4-6-18(7-5-16)22-29(26,27)19-8-9-20(17(2)14-19)28-15-21(25)24-12-10-23(3)11-13-24/h4-9,14H,10-13,15H2,1-3H3/q-1/p+1