4-methyl-N-(2-methylphenyl)-3-(4-methylpiperazin-4-ium-1-yl)sulfonyl-benzamide

Systemtic Name: 4-methyl-N-(2-methylphenyl)-3-(4-methylpiperazin-4-ium-1-yl)sulfonyl-benzamide Openeye Name: 4-methyl-3-(4-methylpiperazin-4-ium-1-yl)sulfonyl-N-(o-tolyl)benzamide CAS Name: 4-methyl-N-(2-methylphenyl)-3-[(4-methyl-1-piperazin-4-iumyl)sulfonyl]benzamide IUPAC Name: 4-methyl-N-(2-methylphenyl)-3-(4-methylpiperazin-4-ium-1-yl)sulfonylbenzamide Traditional Name: 4-methyl-3-(4-methylpiperazin-4-ium-1-yl)sulfonyl-N-(o-tolyl)benzamide Formula: C20H26N3O3S+ MolecularWeight: 388.50374

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NC2=CC=CC=C2C)S(=O)(=O)N3CC[NH+](CC3)C

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NC2=CC=CC=C2C)S(=O)(=O)N3CC[NH+](CC3)C

InChI

InChI=1S/C20H25N3O3S/c1-15-6-4-5-7-18(15)21-20(24)17-9-8-16(2)19(14-17)27(25,26)23-12-10-22(3)11-13-23/h4-9,14H,10-13H2,1-3H3,(H,21,24)/p+1