[1-[[2,6-bis(fluoranyl)phenyl]amino]-1-oxidanylidene-propan-2-yl] 1-thiophen-2-ylsulfonylpiperidine-4-carboxylate

Systemtic Name: [1-[[2,6-bis(fluoranyl)phenyl]amino]-1-oxidanylidene-propan-2-yl] 1-thiophen-2-ylsulfonylpiperidine-4-carboxylate Openeye Name: [2-(2,6-difluoroanilino)-1-methyl-2-oxo-ethyl] 1-(2-thienylsulfonyl)piperidine-4-carboxylate CAS Name: 1-thiophen-2-ylsulfonyl-4-piperidinecarboxylic acid [1-(2,6-difluoroanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(2,6-difluoroanilino)-1-oxopropan-2-yl] 1-thiophen-2-ylsulfonylpiperidine-4-carboxylate Traditional Name: 1-(2-thienylsulfonyl)isonipecotic acid [2-(2,6-difluoroanilino)-2-keto-1-methyl-ethyl] ester Formula: C19H20F2N2O5S2 MolecularWeight: 458.499306

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=C(C=CC=C1F)F)OC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CS3

Isomeric SMILES

CC(C(=O)NC1=C(C=CC=C1F)F)OC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CS3

InChI

InChI=1S/C19H20F2N2O5S2/c1-12(18(24)22-17-14(20)4-2-5-15(17)21)28-19(25)13-7-9-23(10-8-13)30(26,27)16-6-3-11-29-16/h2-6,11-13H,7-10H2,1H3,(H,22,24)