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

Systemtic Name: N-(2,3-dimethylphenyl)-4-(4-methylpiperazin-4-ium-1-yl)sulfonyl-benzamide Openeye Name: N-(2,3-dimethylphenyl)-4-(4-methylpiperazin-4-ium-1-yl)sulfonyl-benzamide CAS Name: N-(2,3-dimethylphenyl)-4-[(4-methyl-1-piperazin-4-iumyl)sulfonyl]benzamide IUPAC Name: N-(2,3-dimethylphenyl)-4-(4-methylpiperazin-4-ium-1-yl)sulfonylbenzamide Traditional Name: N-(2,3-dimethylphenyl)-4-(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)NC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CC[NH+](CC3)C)C

Isomeric SMILES

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

InChI

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