[2-[(4-methyl-3-nitro-phenyl)amino]-2-oxidanylidene-ethyl] (2S,3S)-2-(naphthalen-2-ylsulfonylamino)-3-oxidanyl-butanoate

Systemtic Name: [2-[(4-methyl-3-nitro-phenyl)amino]-2-oxidanylidene-ethyl] (2S,3S)-2-(naphthalen-2-ylsulfonylamino)-3-oxidanyl-butanoate Openeye Name: [2-(4-methyl-3-nitro-anilino)-2-oxo-ethyl] (2S,3S)-3-hydroxy-2-(2-naphthylsulfonylamino)butanoate CAS Name: (2S,3S)-3-hydroxy-2-(2-naphthalenylsulfonylamino)butanoic acid [2-(4-methyl-3-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-methyl-3-nitroanilino)-2-oxoethyl] (2S,3S)-3-hydroxy-2-(naphthalen-2-ylsulfonylamino)butanoate Traditional Name: (2S,3S)-3-hydroxy-2-(2-naphthylsulfonylamino)butyric acid [2-keto-2-(4-methyl-3-nitro-anilino)ethyl] ester Formula: C23H23N3O8S MolecularWeight: 501.50902

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)COC(=O)C(C(C)O)NS(=O)(=O)C2=CC3=CC=CC=C3C=C2)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)COC(=O)[C@H]([C@H](C)O)NS(=O)(=O)C2=CC3=CC=CC=C3C=C2)[N+](=O)[O-]

InChI

InChI=1S/C23H23N3O8S/c1-14-7-9-18(12-20(14)26(30)31)24-21(28)13-34-23(29)22(15(2)27)25-35(32,33)19-10-8-16-5-3-4-6-17(16)11-19/h3-12,15,22,25,27H,13H2,1-2H3,(H,24,28)/t15-,22-/m0/s1