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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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