[2-oxidanylidene-2-[4-(phenylsulfonyl)piperazin-1-yl]ethyl] 1,3-benzodioxole-5-carboxylate

Systemtic Name: [2-oxidanylidene-2-[4-(phenylsulfonyl)piperazin-1-yl]ethyl] 1,3-benzodioxole-5-carboxylate Openeye Name: [2-[4-(benzenesulfonyl)piperazin-1-yl]-2-oxo-ethyl] 1,3-benzodioxole-5-carboxylate CAS Name: 1,3-benzodioxole-5-carboxylic acid [2-[4-(benzenesulfonyl)-1-piperazinyl]-2-oxoethyl] ester IUPAC Name: [2-[4-(benzenesulfonyl)piperazin-1-yl]-2-oxoethyl] 1,3-benzodioxole-5-carboxylate Traditional Name: piperonylic acid [2-(4-besylpiperazino)-2-keto-ethyl] ester Formula: C20H20N2O7S MolecularWeight: 432.447

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)COC(=O)C2=CC3=C(C=C2)OCO3)S(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

C1CN(CCN1C(=O)COC(=O)C2=CC3=C(C=C2)OCO3)S(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C20H20N2O7S/c23-19(13-27-20(24)15-6-7-17-18(12-15)29-14-28-17)21-8-10-22(11-9-21)30(25,26)16-4-2-1-3-5-16/h1-7,12H,8-11,13-14H2