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

Systemtic Name: 4-[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-oxidanylidene-ethoxy]-N-(1-phenylethyl)benzenesulfonamide Openeye Name: 4-[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-oxo-ethoxy]-N-(1-phenylethyl)benzenesulfonamide CAS Name: 4-[2-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-2-oxoethoxy]-N-(1-phenylethyl)benzenesulfonamide IUPAC Name: 4-[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-oxoethoxy]-N-(1-phenylethyl)benzenesulfonamide Traditional Name: 4-[2-keto-2-(4-piperonylpiperazino)ethoxy]-N-(1-phenylethyl)benzenesulfonamide Formula: C28H31N3O6S MolecularWeight: 537.62724

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)NS(=O)(=O)C2=CC=C(C=C2)OCC(=O)N3CCN(CC3)CC4=CC5=C(C=C4)OCO5

Isomeric SMILES

CC(C1=CC=CC=C1)NS(=O)(=O)C2=CC=C(C=C2)OCC(=O)N3CCN(CC3)CC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C28H31N3O6S/c1-21(23-5-3-2-4-6-23)29-38(33,34)25-10-8-24(9-11-25)35-19-28(32)31-15-13-30(14-16-31)18-22-7-12-26-27(17-22)37-20-36-26/h2-12,17,21,29H,13-16,18-20H2,1H3