2-[4-[(2-methylphenyl)methyl]piperazin-1-ium-1-yl]-N-(4-sulfamoylphenyl)ethanamide

Systemtic Name: 2-[4-[(2-methylphenyl)methyl]piperazin-1-ium-1-yl]-N-(4-sulfamoylphenyl)ethanamide Openeye Name: 2-[4-(o-tolylmethyl)piperazin-1-ium-1-yl]-N-(4-sulfamoylphenyl)acetamide CAS Name: 2-[4-[(2-methylphenyl)methyl]-1-piperazin-1-iumyl]-N-(4-sulfamoylphenyl)acetamide IUPAC Name: 2-[4-[(2-methylphenyl)methyl]piperazin-1-ium-1-yl]-N-(4-sulfamoylphenyl)acetamide Traditional Name: 2-[4-(2-methylbenzyl)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=CC=CC=C1CN2CC[NH+](CC2)CC(=O)NC3=CC=C(C=C3)S(=O)(=O)N

Isomeric SMILES

CC1=CC=CC=C1CN2CC[NH+](CC2)CC(=O)NC3=CC=C(C=C3)S(=O)(=O)N

InChI

InChI=1S/C20H26N4O3S/c1-16-4-2-3-5-17(16)14-23-10-12-24(13-11-23)15-20(25)22-18-6-8-19(9-7-18)28(21,26)27/h2-9H,10-15H2,1H3,(H,22,25)(H2,21,26,27)/p+1