3-[4-[(2-methylphenyl)methyl]piperazin-1-ium-1-yl]-N-(4-sulfamoylphenyl)propanamide

Systemtic Name: 3-[4-[(2-methylphenyl)methyl]piperazin-1-ium-1-yl]-N-(4-sulfamoylphenyl)propanamide Openeye Name: 3-[4-(o-tolylmethyl)piperazin-1-ium-1-yl]-N-(4-sulfamoylphenyl)propanamide CAS Name: 3-[4-[(2-methylphenyl)methyl]-1-piperazin-1-iumyl]-N-(4-sulfamoylphenyl)propanamide IUPAC Name: 3-[4-[(2-methylphenyl)methyl]piperazin-1-ium-1-yl]-N-(4-sulfamoylphenyl)propanamide Traditional Name: 3-[4-(2-methylbenzyl)piperazin-1-ium-1-yl]-N-(4-sulfamoylphenyl)propionamide Formula: C21H29N4O3S+ MolecularWeight: 417.54496

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H28N4O3S/c1-17-4-2-3-5-18(17)16-25-14-12-24(13-15-25)11-10-21(26)23-19-6-8-20(9-7-19)29(22,27)28/h2-9H,10-16H2,1H3,(H,23,26)(H2,22,27,28)/p+1