2-[[4-methoxy-6-(phenylsulfanylmethyl)pyrimidin-2-yl]carbamoylsulfamoyl]benzoic acid

Systemtic Name: 2-[[4-methoxy-6-(phenylsulfanylmethyl)pyrimidin-2-yl]carbamoylsulfamoyl]benzoic acid Openeye Name: 2-[[4-methoxy-6-(phenylsulfanylmethyl)pyrimidin-2-yl]carbamoylsulfamoyl]benzoic acid CAS Name: 2-[[[[4-methoxy-6-[(phenylthio)methyl]-2-pyrimidinyl]amino]-oxomethyl]sulfamoyl]benzoic acid IUPAC Name: 2-[[4-methoxy-6-(phenylsulfanylmethyl)pyrimidin-2-yl]carbamoylsulfamoyl]benzoic acid Traditional Name: 2-[[4-methoxy-6-[(phenylthio)methyl]pyrimidin-2-yl]carbamoylsulfamoyl]benzoic acid Formula: C20H18N4O6S2 MolecularWeight: 474.51012

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Descriptors Computed from Structure

Canonical SMILES:

COC1=NC(=NC(=C1)CSC2=CC=CC=C2)NC(=O)NS(=O)(=O)C3=CC=CC=C3C(=O)O

Isomeric SMILES

COC1=NC(=NC(=C1)CSC2=CC=CC=C2)NC(=O)NS(=O)(=O)C3=CC=CC=C3C(=O)O

InChI

InChI=1S/C20H18N4O6S2/c1-30-17-11-13(12-31-14-7-3-2-4-8-14)21-19(22-17)23-20(27)24-32(28,29)16-10-6-5-9-15(16)18(25)26/h2-11H,12H2,1H3,(H,25,26)(H2,21,22,23,24,27)