3-[4-(phenylmethyl)piperazin-1-ium-1-yl]-N-(4-sulfamoylphenyl)propanamide

Systemtic Name: 3-[4-(phenylmethyl)piperazin-1-ium-1-yl]-N-(4-sulfamoylphenyl)propanamide Openeye Name: 3-(4-benzylpiperazin-1-ium-1-yl)-N-(4-sulfamoylphenyl)propanamide CAS Name: 3-[4-(phenylmethyl)-1-piperazin-1-iumyl]-N-(4-sulfamoylphenyl)propanamide IUPAC Name: 3-(4-benzylpiperazin-1-ium-1-yl)-N-(4-sulfamoylphenyl)propanamide Traditional Name: 3-(4-benzylpiperazin-1-ium-1-yl)-N-(4-sulfamoylphenyl)propionamide Formula: C20H27N4O3S+ MolecularWeight: 403.51838

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCC(=O)NC2=CC=C(C=C2)S(=O)(=O)N)CC3=CC=CC=C3

Isomeric SMILES

C1CN(CC[NH+]1CCC(=O)NC2=CC=C(C=C2)S(=O)(=O)N)CC3=CC=CC=C3

InChI

InChI=1S/C20H26N4O3S/c21-28(26,27)19-8-6-18(7-9-19)22-20(25)10-11-23-12-14-24(15-13-23)16-17-4-2-1-3-5-17/h1-9H,10-16H2,(H,22,25)(H2,21,26,27)/p+1