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

Systemtic Name: 5-chloranyl-2-[[4-(dimethoxymethyl)-6-methyl-pyrimidin-2-yl]carbamoylsulfamoyl]benzoic acid Openeye Name: 5-chloro-2-[[4-(dimethoxymethyl)-6-methyl-pyrimidin-2-yl]carbamoylsulfamoyl]benzoic acid CAS Name: 5-chloro-2-[[[[4-(dimethoxymethyl)-6-methyl-2-pyrimidinyl]amino]-oxomethyl]sulfamoyl]benzoic acid IUPAC Name: 5-chloro-2-[[4-(dimethoxymethyl)-6-methylpyrimidin-2-yl]carbamoylsulfamoyl]benzoic acid Traditional Name: 5-chloro-2-[[4-(dimethoxymethyl)-6-methyl-pyrimidin-2-yl]carbamoylsulfamoyl]benzoic acid Formula: C16H17ClN4O7S MolecularWeight: 444.84678

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H17ClN4O7S/c1-8-6-11(14(27-2)28-3)19-15(18-8)20-16(24)21-29(25,26)12-5-4-9(17)7-10(12)13(22)23/h4-7,14H,1-3H3,(H,22,23)(H2,18,19,20,21,24)