[2-[(3-fluoranyl-4-methyl-phenyl)amino]-2-oxidanylidene-ethyl] 1-(4-tert-butylphenyl)sulfonylpiperidine-4-carboxylate

Systemtic Name: [2-[(3-fluoranyl-4-methyl-phenyl)amino]-2-oxidanylidene-ethyl] 1-(4-tert-butylphenyl)sulfonylpiperidine-4-carboxylate Openeye Name: [2-(3-fluoro-4-methyl-anilino)-2-oxo-ethyl] 1-(4-tert-butylphenyl)sulfonylpiperidine-4-carboxylate CAS Name: 1-(4-tert-butylphenyl)sulfonyl-4-piperidinecarboxylic acid [2-(3-fluoro-4-methylanilino)-2-oxoethyl] ester IUPAC Name: [2-(3-fluoro-4-methylanilino)-2-oxoethyl] 1-(4-tert-butylphenyl)sulfonylpiperidine-4-carboxylate Traditional Name: 1-(4-tert-butylphenyl)sulfonylisonipecotic acid [2-(3-fluoro-4-methyl-anilino)-2-keto-ethyl] ester Formula: C25H31FN2O5S MolecularWeight: 490.587443

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)COC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C(C)(C)C)F

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)COC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C(C)(C)C)F

InChI

InChI=1S/C25H31FN2O5S/c1-17-5-8-20(15-22(17)26)27-23(29)16-33-24(30)18-11-13-28(14-12-18)34(31,32)21-9-6-19(7-10-21)25(2,3)4/h5-10,15,18H,11-14,16H2,1-4H3,(H,27,29)