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

Systemtic Name: 3-[4-[4-(3-chloranyl-4-fluoranyl-phenyl)sulfonylpiperazin-1-yl]carbonylphenyl]quinazolin-4-one Openeye Name: 3-[4-[4-(3-chloro-4-fluoro-phenyl)sulfonylpiperazine-1-carbonyl]phenyl]quinazolin-4-one CAS Name: 3-[4-[[4-(3-chloro-4-fluorophenyl)sulfonyl-1-piperazinyl]-oxomethyl]phenyl]-4-quinazolinone IUPAC Name: 3-[4-[4-(3-chloro-4-fluorophenyl)sulfonylpiperazine-1-carbonyl]phenyl]quinazolin-4-one Traditional Name: 3-[4-[4-(3-chloro-4-fluoro-phenyl)sulfonylpiperazine-1-carbonyl]phenyl]quinazolin-4-one Formula: C25H20ClFN4O4S MolecularWeight: 526.967103

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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)F)Cl

Isomeric SMILES

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

InChI

InChI=1S/C25H20ClFN4O4S/c26-21-15-19(9-10-22(21)27)36(34,35)30-13-11-29(12-14-30)24(32)17-5-7-18(8-6-17)31-16-28-23-4-2-1-3-20(23)25(31)33/h1-10,15-16H,11-14H2