[2-[(3-chloranyl-4-fluoranyl-phenyl)amino]-2-oxidanylidene-ethyl] 1-thiophen-2-ylsulfonylpiperidine-4-carboxylate

Systemtic Name: [2-[(3-chloranyl-4-fluoranyl-phenyl)amino]-2-oxidanylidene-ethyl] 1-thiophen-2-ylsulfonylpiperidine-4-carboxylate Openeye Name: [2-(3-chloro-4-fluoro-anilino)-2-oxo-ethyl] 1-(2-thienylsulfonyl)piperidine-4-carboxylate CAS Name: 1-thiophen-2-ylsulfonyl-4-piperidinecarboxylic acid [2-(3-chloro-4-fluoroanilino)-2-oxoethyl] ester IUPAC Name: [2-(3-chloro-4-fluoroanilino)-2-oxoethyl] 1-thiophen-2-ylsulfonylpiperidine-4-carboxylate Traditional Name: 1-(2-thienylsulfonyl)isonipecotic acid [2-(3-chloro-4-fluoro-anilino)-2-keto-ethyl] ester Formula: C18H18ClFN2O5S2 MolecularWeight: 460.927323

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)OCC(=O)NC2=CC(=C(C=C2)F)Cl)S(=O)(=O)C3=CC=CS3

Isomeric SMILES

C1CN(CCC1C(=O)OCC(=O)NC2=CC(=C(C=C2)F)Cl)S(=O)(=O)C3=CC=CS3

InChI

InChI=1S/C18H18ClFN2O5S2/c19-14-10-13(3-4-15(14)20)21-16(23)11-27-18(24)12-5-7-22(8-6-12)29(25,26)17-2-1-9-28-17/h1-4,9-10,12H,5-8,11H2,(H,21,23)