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

Systemtic Name: [(2R)-1-[(2-fluorophenyl)amino]-1-oxidanylidene-propan-2-yl] 2-chloranyl-5-morpholin-4-ylsulfonyl-benzoate Openeye Name: [(1R)-2-(2-fluoroanilino)-1-methyl-2-oxo-ethyl] 2-chloro-5-morpholinosulfonyl-benzoate CAS Name: 2-chloro-5-(4-morpholinylsulfonyl)benzoic acid [(2R)-1-(2-fluoroanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(2-fluoroanilino)-1-oxopropan-2-yl] 2-chloro-5-morpholin-4-ylsulfonylbenzoate Traditional Name: 2-chloro-5-morpholinosulfonyl-benzoic acid [(1R)-2-(2-fluoroanilino)-2-keto-1-methyl-ethyl] ester Formula: C20H20ClFN2O6S MolecularWeight: 470.899003

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC=C1F)OC(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCOCC3)Cl

Isomeric SMILES

C[C@H](C(=O)NC1=CC=CC=C1F)OC(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCOCC3)Cl

InChI

InChI=1S/C20H20ClFN2O6S/c1-13(19(25)23-18-5-3-2-4-17(18)22)30-20(26)15-12-14(6-7-16(15)21)31(27,28)24-8-10-29-11-9-24/h2-7,12-13H,8-11H2,1H3,(H,23,25)/t13-/m1/s1