3-[4-[4-(4-bromanyl-2-chloranyl-phenyl)sulfonylpiperazin-1-yl]carbonylphenyl]quinazolin-4-one

Systemtic Name: 3-[4-[4-(4-bromanyl-2-chloranyl-phenyl)sulfonylpiperazin-1-yl]carbonylphenyl]quinazolin-4-one Openeye Name: 3-[4-[4-(4-bromo-2-chloro-phenyl)sulfonylpiperazine-1-carbonyl]phenyl]quinazolin-4-one CAS Name: 3-[4-[[4-(4-bromo-2-chlorophenyl)sulfonyl-1-piperazinyl]-oxomethyl]phenyl]-4-quinazolinone IUPAC Name: 3-[4-[4-(4-bromo-2-chlorophenyl)sulfonylpiperazine-1-carbonyl]phenyl]quinazolin-4-one Traditional Name: 3-[4-[4-(4-bromo-2-chloro-phenyl)sulfonylpiperazine-1-carbonyl]phenyl]quinazolin-4-one Formula: C25H20BrClN4O4S MolecularWeight: 587.8727

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H20BrClN4O4S/c26-18-7-10-23(21(27)15-18)36(34,35)30-13-11-29(12-14-30)24(32)17-5-8-19(9-6-17)31-16-28-22-4-2-1-3-20(22)25(31)33/h1-10,15-16H,11-14H2