[2-[[3,4-bis(fluoranyl)phenyl]amino]-2-oxidanylidene-ethyl] 1-pyridin-3-ylsulfonylpiperidine-4-carboxylate

Systemtic Name: [2-[[3,4-bis(fluoranyl)phenyl]amino]-2-oxidanylidene-ethyl] 1-pyridin-3-ylsulfonylpiperidine-4-carboxylate Openeye Name: [2-(3,4-difluoroanilino)-2-oxo-ethyl] 1-(3-pyridylsulfonyl)piperidine-4-carboxylate CAS Name: 1-(3-pyridinylsulfonyl)-4-piperidinecarboxylic acid [2-(3,4-difluoroanilino)-2-oxoethyl] ester IUPAC Name: [2-(3,4-difluoroanilino)-2-oxoethyl] 1-pyridin-3-ylsulfonylpiperidine-4-carboxylate Traditional Name: 1-(3-pyridylsulfonyl)isonipecotic acid [2-(3,4-difluoroanilino)-2-keto-ethyl] ester Formula: C19H19F2N3O5S MolecularWeight: 439.433066

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H19F2N3O5S/c20-16-4-3-14(10-17(16)21)23-18(25)12-29-19(26)13-5-8-24(9-6-13)30(27,28)15-2-1-7-22-11-15/h1-4,7,10-11,13H,5-6,8-9,12H2,(H,23,25)