(6-chloranylpyridin-3-yl)methyl 2-[[4-(dimethylamino)-3-nitro-phenyl]sulfonylamino]ethanoate

Systemtic Name: (6-chloranylpyridin-3-yl)methyl 2-[[4-(dimethylamino)-3-nitro-phenyl]sulfonylamino]ethanoate Openeye Name: (6-chloro-3-pyridyl)methyl 2-[[4-(dimethylamino)-3-nitro-phenyl]sulfonylamino]acetate CAS Name: 2-[[4-(dimethylamino)-3-nitrophenyl]sulfonylamino]acetic acid (6-chloro-3-pyridinyl)methyl ester IUPAC Name: (6-chloropyridin-3-yl)methyl 2-[[4-(dimethylamino)-3-nitrophenyl]sulfonylamino]acetate Traditional Name: 2-[[4-(dimethylamino)-3-nitro-phenyl]sulfonylamino]acetic acid (6-chloro-3-pyridyl)methyl ester Formula: C16H17ClN4O6S MolecularWeight: 428.84738

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H17ClN4O6S/c1-20(2)13-5-4-12(7-14(13)21(23)24)28(25,26)19-9-16(22)27-10-11-3-6-15(17)18-8-11/h3-8,19H,9-10H2,1-2H3