methyl 3-[(2,6-dimethoxypyridin-3-yl)-methylsulfonyl-carbamoyl]-5-nitro-benzoate

Systemtic Name: methyl 3-[(2,6-dimethoxypyridin-3-yl)-methylsulfonyl-carbamoyl]-5-nitro-benzoate Openeye Name: methyl 3-[(2,6-dimethoxy-3-pyridyl)-methylsulfonyl-carbamoyl]-5-nitro-benzoate CAS Name: 3-[[(2,6-dimethoxy-3-pyridinyl)-methylsulfonylamino]-oxomethyl]-5-nitrobenzoic acid methyl ester IUPAC Name: methyl 3-[(2,6-dimethoxypyridin-3-yl)-methylsulfonylcarbamoyl]-5-nitrobenzoate Traditional Name: 3-[(2,6-dimethoxy-3-pyridyl)-mesyl-carbamoyl]-5-nitro-benzoic acid methyl ester Formula: C17H17N3O9S MolecularWeight: 439.39658

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=NC(=C(C=C1)N(C(=O)C2=CC(=CC(=C2)[N+](=O)[O-])C(=O)OC)S(=O)(=O)C)OC

Isomeric SMILES

COC1=NC(=C(C=C1)N(C(=O)C2=CC(=CC(=C2)[N+](=O)[O-])C(=O)OC)S(=O)(=O)C)OC

InChI

InChI=1S/C17H17N3O9S/c1-27-14-6-5-13(15(18-14)28-2)19(30(4,25)26)16(21)10-7-11(17(22)29-3)9-12(8-10)20(23)24/h5-9H,1-4H3