2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-N-(4-sulfamoylphenyl)propanamide

Systemtic Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-N-(4-sulfamoylphenyl)propanamide Openeye Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-N-(4-sulfamoylphenyl)propanamide CAS Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-N-(4-sulfamoylphenyl)propanamide IUPAC Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-N-(4-sulfamoylphenyl)propanamide Traditional Name: 2-(4-piperonylpiperazino)-N-(4-sulfamoylphenyl)propionamide Formula: C21H26N4O5S MolecularWeight: 446.51994

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)S(=O)(=O)N)N2CCN(CC2)CC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC(C(=O)NC1=CC=C(C=C1)S(=O)(=O)N)N2CCN(CC2)CC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C21H26N4O5S/c1-15(21(26)23-17-3-5-18(6-4-17)31(22,27)28)25-10-8-24(9-11-25)13-16-2-7-19-20(12-16)30-14-29-19/h2-7,12,15H,8-11,13-14H2,1H3,(H,23,26)(H2,22,27,28)