N-[1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-1-oxidanylidene-propan-2-yl]-N-(4-methylphenyl)methanesulfonamide

Systemtic Name: N-[1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-1-oxidanylidene-propan-2-yl]-N-(4-methylphenyl)methanesulfonamide Openeye Name: N-[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-1-methyl-2-oxo-ethyl]-N-(p-tolyl)methanesulfonamide CAS Name: N-[1-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-1-oxopropan-2-yl]-N-(4-methylphenyl)methanesulfonamide IUPAC Name: N-[1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-1-oxopropan-2-yl]-N-(4-methylphenyl)methanesulfonamide Traditional Name: N-[2-keto-1-methyl-2-(4-piperonylpiperazino)ethyl]-N-(p-tolyl)methanesulfonamide Formula: C23H29N3O5S MolecularWeight: 459.55846

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H29N3O5S/c1-17-4-7-20(8-5-17)26(32(3,28)29)18(2)23(27)25-12-10-24(11-13-25)15-19-6-9-21-22(14-19)31-16-30-21/h4-9,14,18H,10-13,15-16H2,1-3H3