3-[4-(1,3-benzodioxol-5-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfonyl-N-(5-methyl-2-oxidanyl-phenyl)propanamide

Systemtic Name: 3-[4-(1,3-benzodioxol-5-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfonyl-N-(5-methyl-2-oxidanyl-phenyl)propanamide Openeye Name: 3-[4-(1,3-benzodioxol-5-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfonyl-N-(2-hydroxy-5-methyl-phenyl)propanamide CAS Name: 3-[[4-(1,3-benzodioxol-5-yl)-6-(trifluoromethyl)-2-pyrimidinyl]sulfonyl]-N-(2-hydroxy-5-methylphenyl)propanamide IUPAC Name: 3-[4-(1,3-benzodioxol-5-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfonyl-N-(2-hydroxy-5-methylphenyl)propanamide Traditional Name: 3-[4-(1,3-benzodioxol-5-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfonyl-N-(2-hydroxy-5-methyl-phenyl)propionamide Formula: C22H18F3N3O6S MolecularWeight: 509.45503

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)O)NC(=O)CCS(=O)(=O)C2=NC(=CC(=N2)C(F)(F)F)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC1=CC(=C(C=C1)O)NC(=O)CCS(=O)(=O)C2=NC(=CC(=N2)C(F)(F)F)C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C22H18F3N3O6S/c1-12-2-4-16(29)15(8-12)26-20(30)6-7-35(31,32)21-27-14(10-19(28-21)22(23,24)25)13-3-5-17-18(9-13)34-11-33-17/h2-5,8-10,29H,6-7,11H2,1H3,(H,26,30)