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

Systemtic Name: 2-[[4-(1,3-dioxan-2-yl)-6-methoxy-pyrimidin-2-yl]carbamoylsulfamoyl]benzoic acid Openeye Name: 2-[[4-(1,3-dioxan-2-yl)-6-methoxy-pyrimidin-2-yl]carbamoylsulfamoyl]benzoic acid CAS Name: 2-[[[[4-(1,3-dioxan-2-yl)-6-methoxy-2-pyrimidinyl]amino]-oxomethyl]sulfamoyl]benzoic acid IUPAC Name: 2-[[4-(1,3-dioxan-2-yl)-6-methoxypyrimidin-2-yl]carbamoylsulfamoyl]benzoic acid Traditional Name: 2-[[4-(1,3-dioxan-2-yl)-6-methoxy-pyrimidin-2-yl]carbamoylsulfamoyl]benzoic acid Formula: C17H18N4O8S MolecularWeight: 438.41182

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Descriptors Computed from Structure

Canonical SMILES:

COC1=NC(=NC(=C1)C2OCCCO2)NC(=O)NS(=O)(=O)C3=CC=CC=C3C(=O)O

Isomeric SMILES

COC1=NC(=NC(=C1)C2OCCCO2)NC(=O)NS(=O)(=O)C3=CC=CC=C3C(=O)O

InChI

InChI=1S/C17H18N4O8S/c1-27-13-9-11(15-28-7-4-8-29-15)18-16(19-13)20-17(24)21-30(25,26)12-6-3-2-5-10(12)14(22)23/h2-3,5-6,9,15H,4,7-8H2,1H3,(H,22,23)(H2,18,19,20,21,24)