4-[(2,3-dimethylphenyl)sulfamoyl]-N-(4-methylpiperazin-4-ium-1-yl)benzamide

Systemtic Name: 4-[(2,3-dimethylphenyl)sulfamoyl]-N-(4-methylpiperazin-4-ium-1-yl)benzamide Openeye Name: 4-[(2,3-dimethylphenyl)sulfamoyl]-N-(4-methylpiperazin-4-ium-1-yl)benzamide CAS Name: 4-[(2,3-dimethylphenyl)sulfamoyl]-N-(4-methyl-1-piperazin-4-iumyl)benzamide IUPAC Name: 4-[(2,3-dimethylphenyl)sulfamoyl]-N-(4-methylpiperazin-4-ium-1-yl)benzamide Traditional Name: 4-[(2,3-dimethylphenyl)sulfamoyl]-N-(4-methylpiperazin-4-ium-1-yl)benzamide Formula: C20H27N4O3S+ MolecularWeight: 403.51838

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)NS(=O)(=O)C2=CC=C(C=C2)C(=O)NN3CC[NH+](CC3)C)C

Isomeric SMILES

CC1=C(C(=CC=C1)NS(=O)(=O)C2=CC=C(C=C2)C(=O)NN3CC[NH+](CC3)C)C

InChI

InChI=1S/C20H26N4O3S/c1-15-5-4-6-19(16(15)2)22-28(26,27)18-9-7-17(8-10-18)20(25)21-24-13-11-23(3)12-14-24/h4-10,22H,11-14H2,1-3H3,(H,21,25)/p+1