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

Systemtic Name: [(2R)-1-[(2-chloranyl-4-fluoranyl-phenyl)amino]-1-oxidanylidene-propan-2-yl] 4-fluoranyl-3-piperidin-1-ylsulfonyl-benzoate Openeye Name: [(1R)-2-(2-chloro-4-fluoro-anilino)-1-methyl-2-oxo-ethyl] 4-fluoro-3-(1-piperidylsulfonyl)benzoate CAS Name: 4-fluoro-3-(1-piperidinylsulfonyl)benzoic acid [(2R)-1-(2-chloro-4-fluoroanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(2-chloro-4-fluoroanilino)-1-oxopropan-2-yl] 4-fluoro-3-piperidin-1-ylsulfonylbenzoate Traditional Name: 4-fluoro-3-piperidinosulfonyl-benzoic acid [(1R)-2-(2-chloro-4-fluoro-anilino)-2-keto-1-methyl-ethyl] ester Formula: C21H21ClF2N2O5S MolecularWeight: 486.916646

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21ClF2N2O5S/c1-13(20(27)25-18-8-6-15(23)12-16(18)22)31-21(28)14-5-7-17(24)19(11-14)32(29,30)26-9-3-2-4-10-26/h5-8,11-13H,2-4,9-10H2,1H3,(H,25,27)/t13-/m1/s1