2-[(3,4-dimethoxypyridin-2-yl)carbamoylsulfamoylmethyl]benzoate

Systemtic Name: 2-[(3,4-dimethoxypyridin-2-yl)carbamoylsulfamoylmethyl]benzoate Openeye Name: 2-[(3,4-dimethoxy-2-pyridyl)carbamoylsulfamoylmethyl]benzoate CAS Name: 2-[[[(3,4-dimethoxy-2-pyridinyl)amino]-oxomethyl]sulfamoylmethyl]benzoate IUPAC Name: 2-[(3,4-dimethoxypyridin-2-yl)carbamoylsulfamoylmethyl]benzoate Traditional Name: 2-[(3,4-dimethoxy-2-pyridyl)carbamoylsulfamoylmethyl]benzoate Formula: C16H16N3O7S- MolecularWeight: 394.37914

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=NC=C1)NC(=O)NS(=O)(=O)CC2=CC=CC=C2C(=O)[O-])OC

Isomeric SMILES

COC1=C(C(=NC=C1)NC(=O)NS(=O)(=O)CC2=CC=CC=C2C(=O)[O-])OC

InChI

InChI=1S/C16H17N3O7S/c1-25-12-7-8-17-14(13(12)26-2)18-16(22)19-27(23,24)9-10-5-3-4-6-11(10)15(20)21/h3-8H,9H2,1-2H3,(H,20,21)(H2,17,18,19,22)/p-1