[(2S)-1-oxidanylidene-1-phenylazanyl-propan-2-yl] 3-[(3-fluoranyl-4-methyl-phenyl)sulfonylamino]benzoate

Systemtic Name: [(2S)-1-oxidanylidene-1-phenylazanyl-propan-2-yl] 3-[(3-fluoranyl-4-methyl-phenyl)sulfonylamino]benzoate Openeye Name: [(1S)-2-anilino-1-methyl-2-oxo-ethyl] 3-[(3-fluoro-4-methyl-phenyl)sulfonylamino]benzoate CAS Name: 3-[(3-fluoro-4-methylphenyl)sulfonylamino]benzoic acid [(2S)-1-anilino-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-anilino-1-oxopropan-2-yl] 3-[(3-fluoro-4-methylphenyl)sulfonylamino]benzoate Traditional Name: 3-[(3-fluoro-4-methyl-phenyl)sulfonylamino]benzoic acid [(1S)-2-anilino-2-keto-1-methyl-ethyl] ester Formula: C23H21FN2O5S MolecularWeight: 456.486643

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)NC2=CC=CC(=C2)C(=O)OC(C)C(=O)NC3=CC=CC=C3)F

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)NC2=CC=CC(=C2)C(=O)O[C@@H](C)C(=O)NC3=CC=CC=C3)F

InChI

InChI=1S/C23H21FN2O5S/c1-15-11-12-20(14-21(15)24)32(29,30)26-19-10-6-7-17(13-19)23(28)31-16(2)22(27)25-18-8-4-3-5-9-18/h3-14,16,26H,1-2H3,(H,25,27)/t16-/m0/s1