3-[4-[4-[4-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]carbonylphenyl]quinazolin-4-one

Systemtic Name: 3-[4-[4-[4-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]carbonylphenyl]quinazolin-4-one Openeye Name: 3-[4-[4-[4-(trifluoromethyl)phenyl]sulfonylpiperazine-1-carbonyl]phenyl]quinazolin-4-one CAS Name: 3-[4-[oxo-[4-[4-(trifluoromethyl)phenyl]sulfonyl-1-piperazinyl]methyl]phenyl]-4-quinazolinone IUPAC Name: 3-[4-[4-[4-(trifluoromethyl)phenyl]sulfonylpiperazine-1-carbonyl]phenyl]quinazolin-4-one Traditional Name: 3-[4-[4-[4-(trifluoromethyl)phenyl]sulfonylpiperazine-1-carbonyl]phenyl]quinazolin-4-one Formula: C26H21F3N4O4S MolecularWeight: 542.52955

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)C2=CC=C(C=C2)N3C=NC4=CC=CC=C4C3=O)S(=O)(=O)C5=CC=C(C=C5)C(F)(F)F

Isomeric SMILES

C1CN(CCN1C(=O)C2=CC=C(C=C2)N3C=NC4=CC=CC=C4C3=O)S(=O)(=O)C5=CC=C(C=C5)C(F)(F)F

InChI

InChI=1S/C26H21F3N4O4S/c27-26(28,29)19-7-11-21(12-8-19)38(36,37)32-15-13-31(14-16-32)24(34)18-5-9-20(10-6-18)33-17-30-23-4-2-1-3-22(23)25(33)35/h1-12,17H,13-16H2