[2-[(3-fluorophenyl)amino]-2-oxidanylidene-ethyl] 1-(4-chlorophenyl)sulfonylpiperidine-3-carboxylate

Systemtic Name: [2-[(3-fluorophenyl)amino]-2-oxidanylidene-ethyl] 1-(4-chlorophenyl)sulfonylpiperidine-3-carboxylate Openeye Name: [2-(3-fluoroanilino)-2-oxo-ethyl] 1-(4-chlorophenyl)sulfonylpiperidine-3-carboxylate CAS Name: 1-(4-chlorophenyl)sulfonyl-3-piperidinecarboxylic acid [2-(3-fluoroanilino)-2-oxoethyl] ester IUPAC Name: [2-(3-fluoroanilino)-2-oxoethyl] 1-(4-chlorophenyl)sulfonylpiperidine-3-carboxylate Traditional Name: 1-(4-chlorophenyl)sulfonylnipecotic acid [2-(3-fluoroanilino)-2-keto-ethyl] ester Formula: C20H20ClFN2O5S MolecularWeight: 454.899603

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)S(=O)(=O)C2=CC=C(C=C2)Cl)C(=O)OCC(=O)NC3=CC(=CC=C3)F

Isomeric SMILES

C1CC(CN(C1)S(=O)(=O)C2=CC=C(C=C2)Cl)C(=O)OCC(=O)NC3=CC(=CC=C3)F

InChI

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