3-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoyl]-4-(methylsulfonylaminomethyl)benzoate

Systemtic Name: 3-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoyl]-4-(methylsulfonylaminomethyl)benzoate Openeye Name: 3-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoyl]-4-(methanesulfonamidomethyl)benzoate CAS Name: 3-[[[(4,6-dimethoxy-2-pyrimidinyl)amino]-oxomethyl]sulfamoyl]-4-(methanesulfonamidomethyl)benzoate IUPAC Name: 3-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoyl]-4-(methanesulfonamidomethyl)benzoate Traditional Name: 3-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoyl]-4-(methanesulfonamidomethyl)benzoate Formula: C16H18N5O9S2- MolecularWeight: 488.47222

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=NC(=N1)NC(=O)NS(=O)(=O)C2=C(C=CC(=C2)C(=O)[O-])CNS(=O)(=O)C)OC

Isomeric SMILES

COC1=CC(=NC(=N1)NC(=O)NS(=O)(=O)C2=C(C=CC(=C2)C(=O)[O-])CNS(=O)(=O)C)OC

InChI

InChI=1S/C16H19N5O9S2/c1-29-12-7-13(30-2)19-15(18-12)20-16(24)21-32(27,28)11-6-9(14(22)23)4-5-10(11)8-17-31(3,25)26/h4-7,17H,8H2,1-3H3,(H,22,23)(H2,18,19,20,21,24)/p-1