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

Systemtic Name: (3-cyanophenyl)methyl 2-[[4-(dimethylamino)-3-nitro-phenyl]sulfonylamino]ethanoate Openeye Name: (3-cyanophenyl)methyl 2-[[4-(dimethylamino)-3-nitro-phenyl]sulfonylamino]acetate CAS Name: 2-[[4-(dimethylamino)-3-nitrophenyl]sulfonylamino]acetic acid (3-cyanophenyl)methyl ester IUPAC Name: (3-cyanophenyl)methyl 2-[[4-(dimethylamino)-3-nitrophenyl]sulfonylamino]acetate Traditional Name: 2-[[4-(dimethylamino)-3-nitro-phenyl]sulfonylamino]acetic acid (3-cyanobenzyl) ester Formula: C18H18N4O6S MolecularWeight: 418.42372

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18N4O6S/c1-21(2)16-7-6-15(9-17(16)22(24)25)29(26,27)20-11-18(23)28-12-14-5-3-4-13(8-14)10-19/h3-9,20H,11-12H2,1-2H3