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

Systemtic Name: 3-[4-[(4-chlorophenyl)methyl]piperazin-1-ium-1-yl]-N-(4-sulfamoylphenyl)propanamide Openeye Name: 3-[4-[(4-chlorophenyl)methyl]piperazin-1-ium-1-yl]-N-(4-sulfamoylphenyl)propanamide CAS Name: 3-[4-[(4-chlorophenyl)methyl]-1-piperazin-1-iumyl]-N-(4-sulfamoylphenyl)propanamide IUPAC Name: 3-[4-[(4-chlorophenyl)methyl]piperazin-1-ium-1-yl]-N-(4-sulfamoylphenyl)propanamide Traditional Name: 3-[4-(4-chlorobenzyl)piperazin-1-ium-1-yl]-N-(4-sulfamoylphenyl)propionamide Formula: C20H26ClN4O3S+ MolecularWeight: 437.96344

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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=C(C=C3)Cl

Isomeric SMILES

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

InChI

InChI=1S/C20H25ClN4O3S/c21-17-3-1-16(2-4-17)15-25-13-11-24(12-14-25)10-9-20(26)23-18-5-7-19(8-6-18)29(22,27)28/h1-8H,9-15H2,(H,23,26)(H2,22,27,28)/p+1