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

Systemtic Name: 3-[4-[4-(4-bromanyl-3-methyl-phenyl)sulfonylpiperazin-1-yl]carbonylphenyl]quinazolin-4-one Openeye Name: 3-[4-[4-(4-bromo-3-methyl-phenyl)sulfonylpiperazine-1-carbonyl]phenyl]quinazolin-4-one CAS Name: 3-[4-[[4-(4-bromo-3-methylphenyl)sulfonyl-1-piperazinyl]-oxomethyl]phenyl]-4-quinazolinone IUPAC Name: 3-[4-[4-(4-bromo-3-methylphenyl)sulfonylpiperazine-1-carbonyl]phenyl]quinazolin-4-one Traditional Name: 3-[4-[4-(4-bromo-3-methyl-phenyl)sulfonylpiperazine-1-carbonyl]phenyl]quinazolin-4-one Formula: C26H23BrN4O4S MolecularWeight: 567.45422

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)S(=O)(=O)N2CCN(CC2)C(=O)C3=CC=C(C=C3)N4C=NC5=CC=CC=C5C4=O)Br

Isomeric SMILES

CC1=C(C=CC(=C1)S(=O)(=O)N2CCN(CC2)C(=O)C3=CC=C(C=C3)N4C=NC5=CC=CC=C5C4=O)Br

InChI

InChI=1S/C26H23BrN4O4S/c1-18-16-21(10-11-23(18)27)36(34,35)30-14-12-29(13-15-30)25(32)19-6-8-20(9-7-19)31-17-28-24-5-3-2-4-22(24)26(31)33/h2-11,16-17H,12-15H2,1H3