[(E)-3-phenylprop-2-enyl] 2-[[4-(dimethylamino)-3-nitro-phenyl]sulfonylamino]ethanoate

Systemtic Name: [(E)-3-phenylprop-2-enyl] 2-[[4-(dimethylamino)-3-nitro-phenyl]sulfonylamino]ethanoate Openeye Name: [(E)-cinnamyl] 2-[[4-(dimethylamino)-3-nitro-phenyl]sulfonylamino]acetate CAS Name: 2-[[4-(dimethylamino)-3-nitrophenyl]sulfonylamino]acetic acid [(E)-3-phenylprop-2-enyl] ester IUPAC Name: [(E)-3-phenylprop-2-enyl] 2-[[4-(dimethylamino)-3-nitrophenyl]sulfonylamino]acetate Traditional Name: 2-[[4-(dimethylamino)-3-nitro-phenyl]sulfonylamino]acetic acid [(E)-cinnamyl] ester Formula: C19H21N3O6S MolecularWeight: 419.45154

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=C(C=C(C=C1)S(=O)(=O)NCC(=O)OCC=CC2=CC=CC=C2)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C19H21N3O6S/c1-21(2)17-11-10-16(13-18(17)22(24)25)29(26,27)20-14-19(23)28-12-6-9-15-7-4-3-5-8-15/h3-11,13,20H,12,14H2,1-2H3/b9-6+