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

Systemtic Name: N-[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-oxidanylidene-ethyl]-N-(3-ethanoylphenyl)methanesulfonamide Openeye Name: N-(3-acetylphenyl)-N-[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-oxo-ethyl]methanesulfonamide CAS Name: N-(3-acetylphenyl)-N-[2-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-2-oxoethyl]methanesulfonamide IUPAC Name: N-(3-acetylphenyl)-N-[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-oxoethyl]methanesulfonamide Traditional Name: N-(3-acetylphenyl)-N-[2-keto-2-(4-piperonylpiperazino)ethyl]methanesulfonamide Formula: C23H27N3O6S MolecularWeight: 473.54198

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H27N3O6S/c1-17(27)19-4-3-5-20(13-19)26(33(2,29)30)15-23(28)25-10-8-24(9-11-25)14-18-6-7-21-22(12-18)32-16-31-21/h3-7,12-13H,8-11,14-16H2,1-2H3