6-(phenylsulfonyl)-2-[1,1,1-tris(fluoranyl)-2-oxidanyl-propan-2-yl]-1H-quinazolin-4-one

Systemtic Name: 6-(phenylsulfonyl)-2-[1,1,1-tris(fluoranyl)-2-oxidanyl-propan-2-yl]-1H-quinazolin-4-one Openeye Name: 6-(benzenesulfonyl)-2-(2,2,2-trifluoro-1-hydroxy-1-methyl-ethyl)-1H-quinazolin-4-one CAS Name: 6-(benzenesulfonyl)-2-(1,1,1-trifluoro-2-hydroxypropan-2-yl)-1H-quinazolin-4-one IUPAC Name: 6-(benzenesulfonyl)-2-(1,1,1-trifluoro-2-hydroxypropan-2-yl)-1H-quinazolin-4-one Traditional Name: 6-besyl-2-(2,2,2-trifluoro-1-hydroxy-1-methyl-ethyl)-1H-quinazolin-4-one Formula: C17H13F3N2O4S MolecularWeight: 398.35633

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=NC(=O)C2=C(N1)C=CC(=C2)S(=O)(=O)C3=CC=CC=C3)(C(F)(F)F)O

Isomeric SMILES

CC(C1=NC(=O)C2=C(N1)C=CC(=C2)S(=O)(=O)C3=CC=CC=C3)(C(F)(F)F)O

InChI

InChI=1S/C17H13F3N2O4S/c1-16(24,17(18,19)20)15-21-13-8-7-11(9-12(13)14(23)22-15)27(25,26)10-5-3-2-4-6-10/h2-9,24H,1H3,(H,21,22,23)