[1-[(3-fluoranyl-4-methyl-phenyl)amino]-1-oxidanylidene-propan-2-yl] 1-ethylsulfonylpiperidine-4-carboxylate

Systemtic Name: [1-[(3-fluoranyl-4-methyl-phenyl)amino]-1-oxidanylidene-propan-2-yl] 1-ethylsulfonylpiperidine-4-carboxylate Openeye Name: [2-(3-fluoro-4-methyl-anilino)-1-methyl-2-oxo-ethyl] 1-ethylsulfonylpiperidine-4-carboxylate CAS Name: 1-ethylsulfonyl-4-piperidinecarboxylic acid [1-(3-fluoro-4-methylanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(3-fluoro-4-methylanilino)-1-oxopropan-2-yl] 1-ethylsulfonylpiperidine-4-carboxylate Traditional Name: 1-esylisonipecotic acid [2-(3-fluoro-4-methyl-anilino)-2-keto-1-methyl-ethyl] ester Formula: C18H25FN2O5S MolecularWeight: 400.464903

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)N1CCC(CC1)C(=O)OC(C)C(=O)NC2=CC(=C(C=C2)C)F

Isomeric SMILES

CCS(=O)(=O)N1CCC(CC1)C(=O)OC(C)C(=O)NC2=CC(=C(C=C2)C)F

InChI

InChI=1S/C18H25FN2O5S/c1-4-27(24,25)21-9-7-14(8-10-21)18(23)26-13(3)17(22)20-15-6-5-12(2)16(19)11-15/h5-6,11,13-14H,4,7-10H2,1-3H3,(H,20,22)