[2-[(2-fluoranyl-5-nitro-phenyl)amino]-2-oxidanylidene-ethyl] (2S)-3-methyl-2-(phenylsulfonylamino)butanoate

Systemtic Name: [2-[(2-fluoranyl-5-nitro-phenyl)amino]-2-oxidanylidene-ethyl] (2S)-3-methyl-2-(phenylsulfonylamino)butanoate Openeye Name: [2-(2-fluoro-5-nitro-anilino)-2-oxo-ethyl] (2S)-2-(benzenesulfonamido)-3-methyl-butanoate CAS Name: (2S)-2-(benzenesulfonamido)-3-methylbutanoic acid [2-(2-fluoro-5-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-fluoro-5-nitroanilino)-2-oxoethyl] (2S)-2-(benzenesulfonamido)-3-methylbutanoate Traditional Name: (2S)-2-(benzenesulfonamido)-3-methyl-butyric acid [2-(2-fluoro-5-nitro-anilino)-2-keto-ethyl] ester Formula: C19H20FN3O7S MolecularWeight: 453.441403

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OCC(=O)NC1=C(C=CC(=C1)[N+](=O)[O-])F)NS(=O)(=O)C2=CC=CC=C2

Isomeric SMILES

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

InChI

InChI=1S/C19H20FN3O7S/c1-12(2)18(22-31(28,29)14-6-4-3-5-7-14)19(25)30-11-17(24)21-16-10-13(23(26)27)8-9-15(16)20/h3-10,12,18,22H,11H2,1-2H3,(H,21,24)/t18-/m0/s1