[2-[(4-fluorophenyl)amino]-2-oxidanylidene-1-phenyl-ethyl] 1-methylsulfonylpiperidine-4-carboxylate

Systemtic Name: [2-[(4-fluorophenyl)amino]-2-oxidanylidene-1-phenyl-ethyl] 1-methylsulfonylpiperidine-4-carboxylate Openeye Name: [2-(4-fluoroanilino)-2-oxo-1-phenyl-ethyl] 1-methylsulfonylpiperidine-4-carboxylate CAS Name: 1-methylsulfonyl-4-piperidinecarboxylic acid [2-(4-fluoroanilino)-2-oxo-1-phenylethyl] ester IUPAC Name: [2-(4-fluoroanilino)-2-oxo-1-phenylethyl] 1-methylsulfonylpiperidine-4-carboxylate Traditional Name: 1-mesylisonipecotic acid [2-(4-fluoroanilino)-2-keto-1-phenyl-ethyl] ester Formula: C21H23FN2O5S MolecularWeight: 434.481123

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CCC(CC1)C(=O)OC(C2=CC=CC=C2)C(=O)NC3=CC=C(C=C3)F

Isomeric SMILES

CS(=O)(=O)N1CCC(CC1)C(=O)OC(C2=CC=CC=C2)C(=O)NC3=CC=C(C=C3)F

InChI

InChI=1S/C21H23FN2O5S/c1-30(27,28)24-13-11-16(12-14-24)21(26)29-19(15-5-3-2-4-6-15)20(25)23-18-9-7-17(22)8-10-18/h2-10,16,19H,11-14H2,1H3,(H,23,25)