2-[[4-(1,3-dioxolan-2-yl)-6-methoxy-pyrimidin-2-yl]carbamoylsulfamoyl]benzoic acid

Systemtic Name: 2-[[4-(1,3-dioxolan-2-yl)-6-methoxy-pyrimidin-2-yl]carbamoylsulfamoyl]benzoic acid Openeye Name: 2-[[4-(1,3-dioxolan-2-yl)-6-methoxy-pyrimidin-2-yl]carbamoylsulfamoyl]benzoic acid CAS Name: 2-[[[[4-(1,3-dioxolan-2-yl)-6-methoxy-2-pyrimidinyl]amino]-oxomethyl]sulfamoyl]benzoic acid IUPAC Name: 2-[[4-(1,3-dioxolan-2-yl)-6-methoxypyrimidin-2-yl]carbamoylsulfamoyl]benzoic acid Traditional Name: 2-[[4-(1,3-dioxolan-2-yl)-6-methoxy-pyrimidin-2-yl]carbamoylsulfamoyl]benzoic acid Formula: C16H16N4O8S MolecularWeight: 424.38524

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Descriptors Computed from Structure

Canonical SMILES:

COC1=NC(=NC(=C1)C2OCCO2)NC(=O)NS(=O)(=O)C3=CC=CC=C3C(=O)O

Isomeric SMILES

COC1=NC(=NC(=C1)C2OCCO2)NC(=O)NS(=O)(=O)C3=CC=CC=C3C(=O)O

InChI

InChI=1S/C16H16N4O8S/c1-26-12-8-10(14-27-6-7-28-14)17-15(18-12)19-16(23)20-29(24,25)11-5-3-2-4-9(11)13(21)22/h2-5,8,14H,6-7H2,1H3,(H,21,22)(H2,17,18,19,20,23)