[2-oxidanylidene-2-(4-piperidin-1-ylsulfonylphenyl)ethyl] 1,3-benzodioxole-5-carboxylate

Systemtic Name: [2-oxidanylidene-2-(4-piperidin-1-ylsulfonylphenyl)ethyl] 1,3-benzodioxole-5-carboxylate Openeye Name: [2-oxo-2-[4-(1-piperidylsulfonyl)phenyl]ethyl] 1,3-benzodioxole-5-carboxylate CAS Name: 1,3-benzodioxole-5-carboxylic acid [2-oxo-2-[4-(1-piperidinylsulfonyl)phenyl]ethyl] ester IUPAC Name: [2-oxo-2-(4-piperidin-1-ylsulfonylphenyl)ethyl] 1,3-benzodioxole-5-carboxylate Traditional Name: piperonylic acid [2-keto-2-(4-piperidinosulfonylphenyl)ethyl] ester Formula: C21H21NO7S MolecularWeight: 431.45894

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)COC(=O)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)COC(=O)C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C21H21NO7S/c23-18(13-27-21(24)16-6-9-19-20(12-16)29-14-28-19)15-4-7-17(8-5-15)30(25,26)22-10-2-1-3-11-22/h4-9,12H,1-3,10-11,13-14H2