[2-(1,3-benzodioxol-5-yl)-2-oxidanylidene-ethyl] 4-methyl-3-piperidin-1-ylsulfonyl-benzoate

Systemtic Name: [2-(1,3-benzodioxol-5-yl)-2-oxidanylidene-ethyl] 4-methyl-3-piperidin-1-ylsulfonyl-benzoate Openeye Name: [2-(1,3-benzodioxol-5-yl)-2-oxo-ethyl] 4-methyl-3-(1-piperidylsulfonyl)benzoate CAS Name: 4-methyl-3-(1-piperidinylsulfonyl)benzoic acid [2-(1,3-benzodioxol-5-yl)-2-oxoethyl] ester IUPAC Name: [2-(1,3-benzodioxol-5-yl)-2-oxoethyl] 4-methyl-3-piperidin-1-ylsulfonylbenzoate Traditional Name: 4-methyl-3-piperidinosulfonyl-benzoic 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:

CC1=C(C=C(C=C1)C(=O)OCC(=O)C2=CC3=C(C=C2)OCO3)S(=O)(=O)N4CCCCC4

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OCC(=O)C2=CC3=C(C=C2)OCO3)S(=O)(=O)N4CCCCC4

InChI

InChI=1S/C22H23NO7S/c1-15-5-6-17(12-21(15)31(26,27)23-9-3-2-4-10-23)22(25)28-13-18(24)16-7-8-19-20(11-16)30-14-29-19/h5-8,11-12H,2-4,9-10,13-14H2,1H3