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

Systemtic Name: (2-azanyl-2-oxidanylidene-1-phenyl-ethyl) 2-[[4-(methylamino)-3-nitro-phenyl]sulfonylamino]ethanoate Openeye Name: (2-amino-2-oxo-1-phenyl-ethyl) 2-[[4-(methylamino)-3-nitro-phenyl]sulfonylamino]acetate CAS Name: 2-[[4-(methylamino)-3-nitrophenyl]sulfonylamino]acetic acid (2-amino-2-oxo-1-phenylethyl) ester IUPAC Name: (2-amino-2-oxo-1-phenylethyl) 2-[[4-(methylamino)-3-nitrophenyl]sulfonylamino]acetate Traditional Name: 2-[[4-(methylamino)-3-nitro-phenyl]sulfonylamino]acetic acid (2-amino-2-keto-1-phenyl-ethyl) ester Formula: C17H18N4O7S MolecularWeight: 422.41242

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Descriptors Computed from Structure

Canonical SMILES:

CNC1=C(C=C(C=C1)S(=O)(=O)NCC(=O)OC(C2=CC=CC=C2)C(=O)N)[N+](=O)[O-]

Isomeric SMILES

CNC1=C(C=C(C=C1)S(=O)(=O)NCC(=O)OC(C2=CC=CC=C2)C(=O)N)[N+](=O)[O-]

InChI

InChI=1S/C17H18N4O7S/c1-19-13-8-7-12(9-14(13)21(24)25)29(26,27)20-10-15(22)28-16(17(18)23)11-5-3-2-4-6-11/h2-9,16,19-20H,10H2,1H3,(H2,18,23)