[(2R)-1-[(5-chloranyl-2-methoxy-phenyl)amino]-1-oxidanylidene-propan-2-yl] 4-fluoranyl-3-piperidin-1-ylsulfonyl-benzoate

Systemtic Name: [(2R)-1-[(5-chloranyl-2-methoxy-phenyl)amino]-1-oxidanylidene-propan-2-yl] 4-fluoranyl-3-piperidin-1-ylsulfonyl-benzoate Openeye Name: [(1R)-2-(5-chloro-2-methoxy-anilino)-1-methyl-2-oxo-ethyl] 4-fluoro-3-(1-piperidylsulfonyl)benzoate CAS Name: 4-fluoro-3-(1-piperidinylsulfonyl)benzoic acid [(2R)-1-(5-chloro-2-methoxyanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(5-chloro-2-methoxyanilino)-1-oxopropan-2-yl] 4-fluoro-3-piperidin-1-ylsulfonylbenzoate Traditional Name: 4-fluoro-3-piperidinosulfonyl-benzoic acid [(1R)-2-(5-chloro-2-methoxy-anilino)-2-keto-1-methyl-ethyl] ester Formula: C22H24ClFN2O6S MolecularWeight: 498.952163

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=C(C=CC(=C1)Cl)OC)OC(=O)C2=CC(=C(C=C2)F)S(=O)(=O)N3CCCCC3

Isomeric SMILES

C[C@H](C(=O)NC1=C(C=CC(=C1)Cl)OC)OC(=O)C2=CC(=C(C=C2)F)S(=O)(=O)N3CCCCC3

InChI

InChI=1S/C22H24ClFN2O6S/c1-14(21(27)25-18-13-16(23)7-9-19(18)31-2)32-22(28)15-6-8-17(24)20(12-15)33(29,30)26-10-4-3-5-11-26/h6-9,12-14H,3-5,10-11H2,1-2H3,(H,25,27)/t14-/m1/s1