[2-(1,3-benzodioxol-5-yl)-2-oxidanylidene-ethyl] 2-(4-piperidin-1-ylsulfonylphenyl)ethanoate

Systemtic Name: [2-(1,3-benzodioxol-5-yl)-2-oxidanylidene-ethyl] 2-(4-piperidin-1-ylsulfonylphenyl)ethanoate Openeye Name: [2-(1,3-benzodioxol-5-yl)-2-oxo-ethyl] 2-[4-(1-piperidylsulfonyl)phenyl]acetate CAS Name: 2-[4-(1-piperidinylsulfonyl)phenyl]acetic acid [2-(1,3-benzodioxol-5-yl)-2-oxoethyl] ester IUPAC Name: [2-(1,3-benzodioxol-5-yl)-2-oxoethyl] 2-(4-piperidin-1-ylsulfonylphenyl)acetate Traditional Name: 2-(4-piperidinosulfonylphenyl)acetic acid [2-(1,3-benzodioxol-5-yl)-2-keto-ethyl] ester Formula: C22H23NO7S MolecularWeight: 445.48552

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H23NO7S/c24-19(17-6-9-20-21(13-17)30-15-29-20)14-28-22(25)12-16-4-7-18(8-5-16)31(26,27)23-10-2-1-3-11-23/h4-9,13H,1-3,10-12,14-15H2