[2-[(4-bromanyl-2-fluoranyl-phenyl)amino]-2-oxidanylidene-ethyl] (2R)-3-methyl-2-(phenylsulfonylamino)butanoate

Systemtic Name: [2-[(4-bromanyl-2-fluoranyl-phenyl)amino]-2-oxidanylidene-ethyl] (2R)-3-methyl-2-(phenylsulfonylamino)butanoate Openeye Name: [2-(4-bromo-2-fluoro-anilino)-2-oxo-ethyl] (2R)-2-(benzenesulfonamido)-3-methyl-butanoate CAS Name: (2R)-2-(benzenesulfonamido)-3-methylbutanoic acid [2-(4-bromo-2-fluoroanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-bromo-2-fluoroanilino)-2-oxoethyl] (2R)-2-(benzenesulfonamido)-3-methylbutanoate Traditional Name: (2R)-2-(benzenesulfonamido)-3-methyl-butyric acid [2-(4-bromo-2-fluoro-anilino)-2-keto-ethyl] ester Formula: C19H20BrFN2O5S MolecularWeight: 487.339903

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OCC(=O)NC1=C(C=C(C=C1)Br)F)NS(=O)(=O)C2=CC=CC=C2

Isomeric SMILES

CC(C)[C@H](C(=O)OCC(=O)NC1=C(C=C(C=C1)Br)F)NS(=O)(=O)C2=CC=CC=C2

InChI

InChI=1S/C19H20BrFN2O5S/c1-12(2)18(23-29(26,27)14-6-4-3-5-7-14)19(25)28-11-17(24)22-16-9-8-13(20)10-15(16)21/h3-10,12,18,23H,11H2,1-2H3,(H,22,24)/t18-/m1/s1