[2-[(3-methylphenyl)amino]-2-oxidanylidene-ethyl] (2S)-2-(4-nitrophenyl)sulfonylpropanoate

Systemtic Name: [2-[(3-methylphenyl)amino]-2-oxidanylidene-ethyl] (2S)-2-(4-nitrophenyl)sulfonylpropanoate Openeye Name: [2-(3-methylanilino)-2-oxo-ethyl] (2S)-2-(4-nitrophenyl)sulfonylpropanoate CAS Name: (2S)-2-(4-nitrophenyl)sulfonylpropanoic acid [2-(3-methylanilino)-2-oxoethyl] ester IUPAC Name: [2-(3-methylanilino)-2-oxoethyl] (2S)-2-(4-nitrophenyl)sulfonylpropanoate Traditional Name: (2S)-2-nosylpropionic acid [2-keto-2-(m-toluidino)ethyl] ester Formula: C18H18N2O7S MolecularWeight: 406.40972

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18N2O7S/c1-12-4-3-5-14(10-12)19-17(21)11-27-18(22)13(2)28(25,26)16-8-6-15(7-9-16)20(23)24/h3-10,13H,11H2,1-2H3,(H,19,21)/t13-/m0/s1