2-[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]-N-(4-sulfamoylphenyl)ethanamide

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)N2CC[NH+](CC2)CC(=O)NC3=CC=C(C=C3)S(=O)(=O)N)C

Isomeric SMILES

CC1=C(C(=CC=C1)N2CC[NH+](CC2)CC(=O)NC3=CC=C(C=C3)S(=O)(=O)N)C

InChI

InChI=1S/C20H26N4O3S/c1-15-4-3-5-19(16(15)2)24-12-10-23(11-13-24)14-20(25)22-17-6-8-18(9-7-17)28(21,26)27/h3-9H,10-14H2,1-2H3,(H,22,25)(H2,21,26,27)/p+1