[(2R)-1-[(2-chloranyl-4-fluoranyl-phenyl)amino]-1-oxidanylidene-propan-2-yl] 2-methyl-5-morpholin-4-ylsulfonyl-benzoate

Systemtic Name: [(2R)-1-[(2-chloranyl-4-fluoranyl-phenyl)amino]-1-oxidanylidene-propan-2-yl] 2-methyl-5-morpholin-4-ylsulfonyl-benzoate Openeye Name: [(1R)-2-(2-chloro-4-fluoro-anilino)-1-methyl-2-oxo-ethyl] 2-methyl-5-morpholinosulfonyl-benzoate CAS Name: 2-methyl-5-(4-morpholinylsulfonyl)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] 2-methyl-5-morpholin-4-ylsulfonylbenzoate Traditional Name: 2-methyl-5-morpholinosulfonyl-benzoic acid [(1R)-2-(2-chloro-4-fluoro-anilino)-2-keto-1-methyl-ethyl] ester Formula: C21H22ClFN2O6S MolecularWeight: 484.925583

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N2CCOCC2)C(=O)OC(C)C(=O)NC3=C(C=C(C=C3)F)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N2CCOCC2)C(=O)O[C@H](C)C(=O)NC3=C(C=C(C=C3)F)Cl

InChI

InChI=1S/C21H22ClFN2O6S/c1-13-3-5-16(32(28,29)25-7-9-30-10-8-25)12-17(13)21(27)31-14(2)20(26)24-19-6-4-15(23)11-18(19)22/h3-6,11-12,14H,7-10H2,1-2H3,(H,24,26)/t14-/m1/s1