[1-[(4-fluorophenyl)amino]-1-oxidanylidene-propan-2-yl] 1-(3-ethanoylphenyl)sulfonylpiperidine-4-carboxylate

Systemtic Name: [1-[(4-fluorophenyl)amino]-1-oxidanylidene-propan-2-yl] 1-(3-ethanoylphenyl)sulfonylpiperidine-4-carboxylate Openeye Name: [2-(4-fluoroanilino)-1-methyl-2-oxo-ethyl] 1-(3-acetylphenyl)sulfonylpiperidine-4-carboxylate CAS Name: 1-(3-acetylphenyl)sulfonyl-4-piperidinecarboxylic acid [1-(4-fluoroanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(4-fluoroanilino)-1-oxopropan-2-yl] 1-(3-acetylphenyl)sulfonylpiperidine-4-carboxylate Traditional Name: 1-(3-acetylphenyl)sulfonylisonipecotic acid [2-(4-fluoroanilino)-2-keto-1-methyl-ethyl] ester Formula: C23H25FN2O6S MolecularWeight: 476.517803

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)F)OC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CC(=C3)C(=O)C

Isomeric SMILES

CC(C(=O)NC1=CC=C(C=C1)F)OC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CC(=C3)C(=O)C

InChI

InChI=1S/C23H25FN2O6S/c1-15(27)18-4-3-5-21(14-18)33(30,31)26-12-10-17(11-13-26)23(29)32-16(2)22(28)25-20-8-6-19(24)7-9-20/h3-9,14,16-17H,10-13H2,1-2H3,(H,25,28)