[2-[(3-nitrophenyl)amino]-2-oxidanylidene-ethyl] (2R)-3-methyl-2-(phenylsulfonylamino)butanoate

Systemtic Name: [2-[(3-nitrophenyl)amino]-2-oxidanylidene-ethyl] (2R)-3-methyl-2-(phenylsulfonylamino)butanoate Openeye Name: [2-(3-nitroanilino)-2-oxo-ethyl] (2R)-2-(benzenesulfonamido)-3-methyl-butanoate CAS Name: (2R)-2-(benzenesulfonamido)-3-methylbutanoic acid [2-(3-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(3-nitroanilino)-2-oxoethyl] (2R)-2-(benzenesulfonamido)-3-methylbutanoate Traditional Name: (2R)-2-(benzenesulfonamido)-3-methyl-butyric acid [2-keto-2-(3-nitroanilino)ethyl] ester Formula: C19H21N3O7S MolecularWeight: 435.45094

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H21N3O7S/c1-13(2)18(21-30(27,28)16-9-4-3-5-10-16)19(24)29-12-17(23)20-14-7-6-8-15(11-14)22(25)26/h3-11,13,18,21H,12H2,1-2H3,(H,20,23)/t18-/m1/s1