N-[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-oxidanylidene-ethyl]-4-ethoxy-N-(4-methylphenyl)benzenesulfonamide

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)S(=O)(=O)N(CC(=O)N2CCN(CC2)CC3=CC4=C(C=C3)OCO4)C5=CC=C(C=C5)C

Isomeric SMILES

CCOC1=CC=C(C=C1)S(=O)(=O)N(CC(=O)N2CCN(CC2)CC3=CC4=C(C=C3)OCO4)C5=CC=C(C=C5)C

InChI

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