2-[[4-(dimethoxymethyl)-6-methyl-pyrimidin-2-yl]carbamoylsulfamoyl]benzoic acid

Systemtic Name: 2-[[4-(dimethoxymethyl)-6-methyl-pyrimidin-2-yl]carbamoylsulfamoyl]benzoic acid Openeye Name: 2-[[4-(dimethoxymethyl)-6-methyl-pyrimidin-2-yl]carbamoylsulfamoyl]benzoic acid CAS Name: 2-[[[[4-(dimethoxymethyl)-6-methyl-2-pyrimidinyl]amino]-oxomethyl]sulfamoyl]benzoic acid IUPAC Name: 2-[[4-(dimethoxymethyl)-6-methylpyrimidin-2-yl]carbamoylsulfamoyl]benzoic acid Traditional Name: 2-[[4-(dimethoxymethyl)-6-methyl-pyrimidin-2-yl]carbamoylsulfamoyl]benzoic acid Formula: C16H18N4O7S MolecularWeight: 410.40172

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)NC(=O)NS(=O)(=O)C2=CC=CC=C2C(=O)O)C(OC)OC

Isomeric SMILES

CC1=CC(=NC(=N1)NC(=O)NS(=O)(=O)C2=CC=CC=C2C(=O)O)C(OC)OC

InChI

InChI=1S/C16H18N4O7S/c1-9-8-11(14(26-2)27-3)18-15(17-9)19-16(23)20-28(24,25)12-7-5-4-6-10(12)13(21)22/h4-8,14H,1-3H3,(H,21,22)(H2,17,18,19,20,23)