2-[[4-methyl-6-(oxan-2-yloxymethyl)pyrimidin-2-yl]carbamoylsulfamoyl]benzoic acid

Systemtic Name: 2-[[4-methyl-6-(oxan-2-yloxymethyl)pyrimidin-2-yl]carbamoylsulfamoyl]benzoic acid Openeye Name: 2-[[4-methyl-6-(tetrahydropyran-2-yloxymethyl)pyrimidin-2-yl]carbamoylsulfamoyl]benzoic acid CAS Name: 2-[[[[4-methyl-6-(2-oxanyloxymethyl)-2-pyrimidinyl]amino]-oxomethyl]sulfamoyl]benzoic acid IUPAC Name: 2-[[4-methyl-6-(oxan-2-yloxymethyl)pyrimidin-2-yl]carbamoylsulfamoyl]benzoic acid Traditional Name: 2-[[4-methyl-6-(tetrahydropyran-2-yloxymethyl)pyrimidin-2-yl]carbamoylsulfamoyl]benzoic acid Formula: C19H22N4O7S MolecularWeight: 450.46558

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)NC(=O)NS(=O)(=O)C2=CC=CC=C2C(=O)O)COC3CCCCO3

Isomeric SMILES

CC1=CC(=NC(=N1)NC(=O)NS(=O)(=O)C2=CC=CC=C2C(=O)O)COC3CCCCO3

InChI

InChI=1S/C19H22N4O7S/c1-12-10-13(11-30-16-8-4-5-9-29-16)21-18(20-12)22-19(26)23-31(27,28)15-7-3-2-6-14(15)17(24)25/h2-3,6-7,10,16H,4-5,8-9,11H2,1H3,(H,24,25)(H2,20,21,22,23,26)