[2-(2-methoxyphenyl)-2-oxidanylidene-ethyl] 1-(4-tert-butylphenyl)sulfonylpiperidine-4-carboxylate

Systemtic Name: [2-(2-methoxyphenyl)-2-oxidanylidene-ethyl] 1-(4-tert-butylphenyl)sulfonylpiperidine-4-carboxylate Openeye Name: [2-(2-methoxyphenyl)-2-oxo-ethyl] 1-(4-tert-butylphenyl)sulfonylpiperidine-4-carboxylate CAS Name: 1-(4-tert-butylphenyl)sulfonyl-4-piperidinecarboxylic acid [2-(2-methoxyphenyl)-2-oxoethyl] ester IUPAC Name: [2-(2-methoxyphenyl)-2-oxoethyl] 1-(4-tert-butylphenyl)sulfonylpiperidine-4-carboxylate Traditional Name: 1-(4-tert-butylphenyl)sulfonylisonipecotic acid [2-keto-2-(2-methoxyphenyl)ethyl] ester Formula: C25H31NO6S MolecularWeight: 473.58174

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)OCC(=O)C3=CC=CC=C3OC

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)OCC(=O)C3=CC=CC=C3OC

InChI

InChI=1S/C25H31NO6S/c1-25(2,3)19-9-11-20(12-10-19)33(29,30)26-15-13-18(14-16-26)24(28)32-17-22(27)21-7-5-6-8-23(21)31-4/h5-12,18H,13-17H2,1-4H3