(1,7-dimethyl-3-oxidanylidene-1,2-dihydroinden-4-yl) 1-(4-ethoxyphenyl)sulfonylpiperidine-4-carboxylate

Systemtic Name: (1,7-dimethyl-3-oxidanylidene-1,2-dihydroinden-4-yl) 1-(4-ethoxyphenyl)sulfonylpiperidine-4-carboxylate Openeye Name: (1,7-dimethyl-3-oxo-indan-4-yl) 1-(4-ethoxyphenyl)sulfonylpiperidine-4-carboxylate CAS Name: 1-(4-ethoxyphenyl)sulfonyl-4-piperidinecarboxylic acid (1,7-dimethyl-3-oxo-1,2-dihydroinden-4-yl) ester IUPAC Name: (1,7-dimethyl-3-oxo-1,2-dihydroinden-4-yl) 1-(4-ethoxyphenyl)sulfonylpiperidine-4-carboxylate Traditional Name: 1-p-phenetylsulfonylisonipecotic acid (3-keto-1,7-dimethyl-indan-4-yl) ester Formula: C25H29NO6S MolecularWeight: 471.56586

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)OC3=C4C(=O)CC(C4=C(C=C3)C)C

Isomeric SMILES

CCOC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)OC3=C4C(=O)CC(C4=C(C=C3)C)C

InChI

InChI=1S/C25H29NO6S/c1-4-31-19-6-8-20(9-7-19)33(29,30)26-13-11-18(12-14-26)25(28)32-22-10-5-16(2)23-17(3)15-21(27)24(22)23/h5-10,17-18H,4,11-15H2,1-3H3