(2-oxidanylidene-2-phenylazanyl-ethyl) 2-[(4-methylsulfanyl-3-nitro-phenyl)sulfonylamino]ethanoate

Systemtic Name: (2-oxidanylidene-2-phenylazanyl-ethyl) 2-[(4-methylsulfanyl-3-nitro-phenyl)sulfonylamino]ethanoate Openeye Name: (2-anilino-2-oxo-ethyl) 2-[(4-methylsulfanyl-3-nitro-phenyl)sulfonylamino]acetate CAS Name: 2-[[4-(methylthio)-3-nitrophenyl]sulfonylamino]acetic acid (2-anilino-2-oxoethyl) ester IUPAC Name: (2-anilino-2-oxoethyl) 2-[(4-methylsulfanyl-3-nitrophenyl)sulfonylamino]acetate Traditional Name: 2-[[4-(methylthio)-3-nitro-phenyl]sulfonylamino]acetic acid (2-anilino-2-keto-ethyl) ester Formula: C17H17N3O7S2 MolecularWeight: 439.46278

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(C=C(C=C1)S(=O)(=O)NCC(=O)OCC(=O)NC2=CC=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CSC1=C(C=C(C=C1)S(=O)(=O)NCC(=O)OCC(=O)NC2=CC=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C17H17N3O7S2/c1-28-15-8-7-13(9-14(15)20(23)24)29(25,26)18-10-17(22)27-11-16(21)19-12-5-3-2-4-6-12/h2-9,18H,10-11H2,1H3,(H,19,21)