(4-cyanophenyl)methyl 2-[[4-(methylamino)-3-nitro-phenyl]sulfonylamino]ethanoate

Systemtic Name: (4-cyanophenyl)methyl 2-[[4-(methylamino)-3-nitro-phenyl]sulfonylamino]ethanoate Openeye Name: (4-cyanophenyl)methyl 2-[[4-(methylamino)-3-nitro-phenyl]sulfonylamino]acetate CAS Name: 2-[[4-(methylamino)-3-nitrophenyl]sulfonylamino]acetic acid (4-cyanophenyl)methyl ester IUPAC Name: (4-cyanophenyl)methyl 2-[[4-(methylamino)-3-nitrophenyl]sulfonylamino]acetate Traditional Name: 2-[[4-(methylamino)-3-nitro-phenyl]sulfonylamino]acetic acid (4-cyanobenzyl) ester Formula: C17H16N4O6S MolecularWeight: 404.39714

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CNC1=C(C=C(C=C1)S(=O)(=O)NCC(=O)OCC2=CC=C(C=C2)C#N)[N+](=O)[O-]

Isomeric SMILES

CNC1=C(C=C(C=C1)S(=O)(=O)NCC(=O)OCC2=CC=C(C=C2)C#N)[N+](=O)[O-]

InChI

InChI=1S/C17H16N4O6S/c1-19-15-7-6-14(8-16(15)21(23)24)28(25,26)20-10-17(22)27-11-13-4-2-12(9-18)3-5-13/h2-8,19-20H,10-11H2,1H3