[2-[(2-nitrophenyl)amino]-2-oxidanylidene-ethyl] (2R)-2-[(4-methylphenyl)sulfonylamino]-4-methylsulfanyl-butanoate

Systemtic Name: [2-[(2-nitrophenyl)amino]-2-oxidanylidene-ethyl] (2R)-2-[(4-methylphenyl)sulfonylamino]-4-methylsulfanyl-butanoate Openeye Name: [2-(2-nitroanilino)-2-oxo-ethyl] (2R)-4-methylsulfanyl-2-(p-tolylsulfonylamino)butanoate CAS Name: (2R)-2-[(4-methylphenyl)sulfonylamino]-4-(methylthio)butanoic acid [2-(2-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-nitroanilino)-2-oxoethyl] (2R)-2-[(4-methylphenyl)sulfonylamino]-4-methylsulfanylbutanoate Traditional Name: (2R)-4-(methylthio)-2-(tosylamino)butyric acid [2-keto-2-(2-nitroanilino)ethyl] ester Formula: C20H23N3O7S2 MolecularWeight: 481.54252

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC(CCSC)C(=O)OCC(=O)NC2=CC=CC=C2[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N[C@H](CCSC)C(=O)OCC(=O)NC2=CC=CC=C2[N+](=O)[O-]

InChI

InChI=1S/C20H23N3O7S2/c1-14-7-9-15(10-8-14)32(28,29)22-17(11-12-31-2)20(25)30-13-19(24)21-16-5-3-4-6-18(16)23(26)27/h3-10,17,22H,11-13H2,1-2H3,(H,21,24)/t17-/m1/s1