3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-ium-1-yl]-N-(4-sulfamoylphenyl)propanamide

Systemtic Name: 3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-ium-1-yl]-N-(4-sulfamoylphenyl)propanamide Openeye Name: 3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-ium-1-yl]-N-(4-sulfamoylphenyl)propanamide CAS Name: 3-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazin-1-iumyl]-N-(4-sulfamoylphenyl)propanamide IUPAC Name: 3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-ium-1-yl]-N-(4-sulfamoylphenyl)propanamide Traditional Name: 3-(4-piperonylpiperazin-1-ium-1-yl)-N-(4-sulfamoylphenyl)propionamide Formula: C21H27N4O5S+ MolecularWeight: 447.52788

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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=CC4=C(C=C3)OCO4

Isomeric SMILES

C1CN(CC[NH+]1CCC(=O)NC2=CC=C(C=C2)S(=O)(=O)N)CC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C21H26N4O5S/c22-31(27,28)18-4-2-17(3-5-18)23-21(26)7-8-24-9-11-25(12-10-24)14-16-1-6-19-20(13-16)30-15-29-19/h1-6,13H,7-12,14-15H2,(H,23,26)(H2,22,27,28)/p+1