2-methylsulfonyl-4-(1-phenylcyclopentyl)pyrimidine-5-carboxylic acid

Systemtic Name: 2-methylsulfonyl-4-(1-phenylcyclopentyl)pyrimidine-5-carboxylic acid Openeye Name: 2-methylsulfonyl-4-(1-phenylcyclopentyl)pyrimidine-5-carboxylic acid CAS Name: 2-methylsulfonyl-4-(1-phenylcyclopentyl)-5-pyrimidinecarboxylic acid IUPAC Name: 2-methylsulfonyl-4-(1-phenylcyclopentyl)pyrimidine-5-carboxylic acid Traditional Name: 2-mesyl-4-(1-phenylcyclopentyl)pyrimidine-5-carboxylic acid Formula: C17H18N2O4S MolecularWeight: 346.40082

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=NC=C(C(=N1)C2(CCCC2)C3=CC=CC=C3)C(=O)O

Isomeric SMILES

CS(=O)(=O)C1=NC=C(C(=N1)C2(CCCC2)C3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C17H18N2O4S/c1-24(22,23)16-18-11-13(15(20)21)14(19-16)17(9-5-6-10-17)12-7-3-2-4-8-12/h2-4,7-8,11H,5-6,9-10H2,1H3,(H,20,21)