(2-azanyl-2-oxidanylidene-1-phenyl-ethyl) 2-[(4-methylsulfanyl-3-nitro-phenyl)sulfonylamino]ethanoate

Systemtic Name: (2-azanyl-2-oxidanylidene-1-phenyl-ethyl) 2-[(4-methylsulfanyl-3-nitro-phenyl)sulfonylamino]ethanoate Openeye Name: (2-amino-2-oxo-1-phenyl-ethyl) 2-[(4-methylsulfanyl-3-nitro-phenyl)sulfonylamino]acetate CAS Name: 2-[[4-(methylthio)-3-nitrophenyl]sulfonylamino]acetic acid (2-amino-2-oxo-1-phenylethyl) ester IUPAC Name: (2-amino-2-oxo-1-phenylethyl) 2-[(4-methylsulfanyl-3-nitrophenyl)sulfonylamino]acetate Traditional Name: 2-[[4-(methylthio)-3-nitro-phenyl]sulfonylamino]acetic acid (2-amino-2-keto-1-phenyl-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)OC(C2=CC=CC=C2)C(=O)N)[N+](=O)[O-]

Isomeric SMILES

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

InChI

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