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

Systemtic Name: [2-(4-tert-butylphenyl)-2-oxidanylidene-ethyl] 1-ethylsulfonylpiperidine-4-carboxylate Openeye Name: [2-(4-tert-butylphenyl)-2-oxo-ethyl] 1-ethylsulfonylpiperidine-4-carboxylate CAS Name: 1-ethylsulfonyl-4-piperidinecarboxylic acid [2-(4-tert-butylphenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-tert-butylphenyl)-2-oxoethyl] 1-ethylsulfonylpiperidine-4-carboxylate Traditional Name: 1-esylisonipecotic acid [2-(4-tert-butylphenyl)-2-keto-ethyl] ester Formula: C20H29NO5S MolecularWeight: 395.51296

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)N1CCC(CC1)C(=O)OCC(=O)C2=CC=C(C=C2)C(C)(C)C

Isomeric SMILES

CCS(=O)(=O)N1CCC(CC1)C(=O)OCC(=O)C2=CC=C(C=C2)C(C)(C)C

InChI

InChI=1S/C20H29NO5S/c1-5-27(24,25)21-12-10-16(11-13-21)19(23)26-14-18(22)15-6-8-17(9-7-15)20(2,3)4/h6-9,16H,5,10-14H2,1-4H3