4-(1,3-benzodioxol-5-ylmethyl)-N-(4-methylphenyl)sulfonyl-piperazine-1-carboxamide

Systemtic Name: 4-(1,3-benzodioxol-5-ylmethyl)-N-(4-methylphenyl)sulfonyl-piperazine-1-carboxamide Openeye Name: 4-(1,3-benzodioxol-5-ylmethyl)-N-(p-tolylsulfonyl)piperazine-1-carboxamide CAS Name: 4-(1,3-benzodioxol-5-ylmethyl)-N-(4-methylphenyl)sulfonyl-1-piperazinecarboxamide IUPAC Name: 4-(1,3-benzodioxol-5-ylmethyl)-N-(4-methylphenyl)sulfonylpiperazine-1-carboxamide Traditional Name: 4-piperonyl-N-tosyl-piperazine-1-carboxamide Formula: C20H23N3O5S MolecularWeight: 417.47872

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC(=O)N2CCN(CC2)CC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC(=O)N2CCN(CC2)CC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C20H23N3O5S/c1-15-2-5-17(6-3-15)29(25,26)21-20(24)23-10-8-22(9-11-23)13-16-4-7-18-19(12-16)28-14-27-18/h2-7,12H,8-11,13-14H2,1H3,(H,21,24)