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

Systemtic Name: 5-chloranyl-2-[[4-(dimethoxymethyl)-6-methoxy-pyrimidin-2-yl]carbamoylsulfamoyl]benzoic acid Openeye Name: 5-chloro-2-[[4-(dimethoxymethyl)-6-methoxy-pyrimidin-2-yl]carbamoylsulfamoyl]benzoic acid CAS Name: 5-chloro-2-[[[[4-(dimethoxymethyl)-6-methoxy-2-pyrimidinyl]amino]-oxomethyl]sulfamoyl]benzoic acid IUPAC Name: 5-chloro-2-[[4-(dimethoxymethyl)-6-methoxypyrimidin-2-yl]carbamoylsulfamoyl]benzoic acid Traditional Name: 5-chloro-2-[[4-(dimethoxymethyl)-6-methoxy-pyrimidin-2-yl]carbamoylsulfamoyl]benzoic acid Formula: C16H17ClN4O8S MolecularWeight: 460.84618

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Descriptors Computed from Structure

Canonical SMILES:

COC1=NC(=NC(=C1)C(OC)OC)NC(=O)NS(=O)(=O)C2=C(C=C(C=C2)Cl)C(=O)O

Isomeric SMILES

COC1=NC(=NC(=C1)C(OC)OC)NC(=O)NS(=O)(=O)C2=C(C=C(C=C2)Cl)C(=O)O

InChI

InChI=1S/C16H17ClN4O8S/c1-27-12-7-10(14(28-2)29-3)18-15(19-12)20-16(24)21-30(25,26)11-5-4-8(17)6-9(11)13(22)23/h4-7,14H,1-3H3,(H,22,23)(H2,18,19,20,21,24)