N-[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-oxidanylidene-ethyl]-N-(2-methoxy-5-methyl-phenyl)-4-methyl-benzenesulfonamide

Systemtic Name: N-[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-oxidanylidene-ethyl]-N-(2-methoxy-5-methyl-phenyl)-4-methyl-benzenesulfonamide Openeye Name: N-[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-oxo-ethyl]-N-(2-methoxy-5-methyl-phenyl)-4-methyl-benzenesulfonamide CAS Name: N-[2-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-2-oxoethyl]-N-(2-methoxy-5-methylphenyl)-4-methylbenzenesulfonamide IUPAC Name: N-[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-oxoethyl]-N-(2-methoxy-5-methylphenyl)-4-methylbenzenesulfonamide Traditional Name: N-[2-keto-2-(4-piperonylpiperazino)ethyl]-N-(2-methoxy-5-methyl-phenyl)-4-methyl-benzenesulfonamide Formula: C29H33N3O6S MolecularWeight: 551.65382

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N(CC(=O)N2CCN(CC2)CC3=CC4=C(C=C3)OCO4)C5=C(C=CC(=C5)C)OC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N(CC(=O)N2CCN(CC2)CC3=CC4=C(C=C3)OCO4)C5=C(C=CC(=C5)C)OC

InChI

InChI=1S/C29H33N3O6S/c1-21-4-8-24(9-5-21)39(34,35)32(25-16-22(2)6-10-26(25)36-3)19-29(33)31-14-12-30(13-15-31)18-23-7-11-27-28(17-23)38-20-37-27/h4-11,16-17H,12-15,18-20H2,1-3H3