[2-[(5-chloranyl-2-fluoranyl-phenyl)amino]-2-oxidanylidene-ethyl] 1-(phenylsulfonyl)piperidine-2-carboxylate

Systemtic Name: [2-[(5-chloranyl-2-fluoranyl-phenyl)amino]-2-oxidanylidene-ethyl] 1-(phenylsulfonyl)piperidine-2-carboxylate Openeye Name: [2-(5-chloro-2-fluoro-anilino)-2-oxo-ethyl] 1-(benzenesulfonyl)piperidine-2-carboxylate CAS Name: 1-(benzenesulfonyl)-2-piperidinecarboxylic acid [2-(5-chloro-2-fluoroanilino)-2-oxoethyl] ester IUPAC Name: [2-(5-chloro-2-fluoroanilino)-2-oxoethyl] 1-(benzenesulfonyl)piperidine-2-carboxylate Traditional Name: 1-besylpipecolinic acid [2-(5-chloro-2-fluoro-anilino)-2-keto-ethyl] ester Formula: C20H20ClFN2O5S MolecularWeight: 454.899603

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C(C1)C(=O)OCC(=O)NC2=C(C=CC(=C2)Cl)F)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

C1CCN(C(C1)C(=O)OCC(=O)NC2=C(C=CC(=C2)Cl)F)S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C20H20ClFN2O5S/c21-14-9-10-16(22)17(12-14)23-19(25)13-29-20(26)18-8-4-5-11-24(18)30(27,28)15-6-2-1-3-7-15/h1-3,6-7,9-10,12,18H,4-5,8,11,13H2,(H,23,25)