N-(2,6-dimethylphenyl)-3-(4-methylpiperazin-4-ium-1-yl)sulfonyl-benzamide

Systemtic Name: N-(2,6-dimethylphenyl)-3-(4-methylpiperazin-4-ium-1-yl)sulfonyl-benzamide Openeye Name: N-(2,6-dimethylphenyl)-3-(4-methylpiperazin-4-ium-1-yl)sulfonyl-benzamide CAS Name: N-(2,6-dimethylphenyl)-3-[(4-methyl-1-piperazin-4-iumyl)sulfonyl]benzamide IUPAC Name: N-(2,6-dimethylphenyl)-3-(4-methylpiperazin-4-ium-1-yl)sulfonylbenzamide Traditional Name: N-(2,6-dimethylphenyl)-3-(4-methylpiperazin-4-ium-1-yl)sulfonyl-benzamide Formula: C20H26N3O3S+ MolecularWeight: 388.50374

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H25N3O3S/c1-15-6-4-7-16(2)19(15)21-20(24)17-8-5-9-18(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