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

Systemtic Name: [2-[(3-fluorophenyl)amino]-2-oxidanylidene-ethyl] 1-(4-fluorophenyl)sulfonylpiperidine-4-carboxylate Openeye Name: [2-(3-fluoroanilino)-2-oxo-ethyl] 1-(4-fluorophenyl)sulfonylpiperidine-4-carboxylate CAS Name: 1-(4-fluorophenyl)sulfonyl-4-piperidinecarboxylic acid [2-(3-fluoroanilino)-2-oxoethyl] ester IUPAC Name: [2-(3-fluoroanilino)-2-oxoethyl] 1-(4-fluorophenyl)sulfonylpiperidine-4-carboxylate Traditional Name: 1-(4-fluorophenyl)sulfonylisonipecotic acid [2-(3-fluoroanilino)-2-keto-ethyl] ester Formula: C20H20F2N2O5S MolecularWeight: 438.445006

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)OCC(=O)NC2=CC(=CC=C2)F)S(=O)(=O)C3=CC=C(C=C3)F

Isomeric SMILES

C1CN(CCC1C(=O)OCC(=O)NC2=CC(=CC=C2)F)S(=O)(=O)C3=CC=C(C=C3)F

InChI

InChI=1S/C20H20F2N2O5S/c21-15-4-6-18(7-5-15)30(27,28)24-10-8-14(9-11-24)20(26)29-13-19(25)23-17-3-1-2-16(22)12-17/h1-7,12,14H,8-11,13H2,(H,23,25)