[1-[(2-nitrophenyl)amino]-1-oxidanylidene-propan-2-yl] 3-methyl-2-(phenylsulfonylamino)butanoate

Systemtic Name: [1-[(2-nitrophenyl)amino]-1-oxidanylidene-propan-2-yl] 3-methyl-2-(phenylsulfonylamino)butanoate Openeye Name: [1-methyl-2-(2-nitroanilino)-2-oxo-ethyl] 2-(benzenesulfonamido)-3-methyl-butanoate CAS Name: 2-(benzenesulfonamido)-3-methylbutanoic acid [1-(2-nitroanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(2-nitroanilino)-1-oxopropan-2-yl] 2-(benzenesulfonamido)-3-methylbutanoate Traditional Name: 2-(benzenesulfonamido)-3-methyl-butyric acid [2-keto-1-methyl-2-(2-nitroanilino)ethyl] ester Formula: C20H23N3O7S MolecularWeight: 449.47752

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H23N3O7S/c1-13(2)18(22-31(28,29)15-9-5-4-6-10-15)20(25)30-14(3)19(24)21-16-11-7-8-12-17(16)23(26)27/h4-14,18,22H,1-3H3,(H,21,24)