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

Systemtic Name: N-[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-oxidanylidene-ethyl]-N-(2-methoxyphenyl)methanesulfonamide Openeye Name: N-[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-oxo-ethyl]-N-(2-methoxyphenyl)methanesulfonamide CAS Name: N-[2-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-2-oxoethyl]-N-(2-methoxyphenyl)methanesulfonamide IUPAC Name: N-[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-oxoethyl]-N-(2-methoxyphenyl)methanesulfonamide Traditional Name: N-[2-keto-2-(4-piperonylpiperazino)ethyl]-N-(2-methoxyphenyl)methanesulfonamide Formula: C22H27N3O6S MolecularWeight: 461.53128

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N(CC(=O)N2CCN(CC2)CC3=CC4=C(C=C3)OCO4)S(=O)(=O)C

Isomeric SMILES

COC1=CC=CC=C1N(CC(=O)N2CCN(CC2)CC3=CC4=C(C=C3)OCO4)S(=O)(=O)C

InChI

InChI=1S/C22H27N3O6S/c1-29-19-6-4-3-5-18(19)25(32(2,27)28)15-22(26)24-11-9-23(10-12-24)14-17-7-8-20-21(13-17)31-16-30-20/h3-8,13H,9-12,14-16H2,1-2H3