[(2R)-1-[(4-fluorophenyl)amino]-1-oxidanylidene-propan-2-yl] 4-methoxy-3-morpholin-4-ylsulfonyl-benzoate

Systemtic Name: [(2R)-1-[(4-fluorophenyl)amino]-1-oxidanylidene-propan-2-yl] 4-methoxy-3-morpholin-4-ylsulfonyl-benzoate Openeye Name: [(1R)-2-(4-fluoroanilino)-1-methyl-2-oxo-ethyl] 4-methoxy-3-morpholinosulfonyl-benzoate CAS Name: 4-methoxy-3-(4-morpholinylsulfonyl)benzoic acid [(2R)-1-(4-fluoroanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(4-fluoroanilino)-1-oxopropan-2-yl] 4-methoxy-3-morpholin-4-ylsulfonylbenzoate Traditional Name: 4-methoxy-3-morpholinosulfonyl-benzoic acid [(1R)-2-(4-fluoroanilino)-2-keto-1-methyl-ethyl] ester Formula: C21H23FN2O7S MolecularWeight: 466.479923

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)F)OC(=O)C2=CC(=C(C=C2)OC)S(=O)(=O)N3CCOCC3

Isomeric SMILES

C[C@H](C(=O)NC1=CC=C(C=C1)F)OC(=O)C2=CC(=C(C=C2)OC)S(=O)(=O)N3CCOCC3

InChI

InChI=1S/C21H23FN2O7S/c1-14(20(25)23-17-6-4-16(22)5-7-17)31-21(26)15-3-8-18(29-2)19(13-15)32(27,28)24-9-11-30-12-10-24/h3-8,13-14H,9-12H2,1-2H3,(H,23,25)/t14-/m1/s1