3-[4-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]carbonylphenyl]quinazolin-4-one

Systemtic Name: 3-[4-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]carbonylphenyl]quinazolin-4-one Openeye Name: 3-[4-[4-(3,4-dimethylphenyl)sulfonylpiperazine-1-carbonyl]phenyl]quinazolin-4-one CAS Name: 3-[4-[[4-(3,4-dimethylphenyl)sulfonyl-1-piperazinyl]-oxomethyl]phenyl]-4-quinazolinone IUPAC Name: 3-[4-[4-(3,4-dimethylphenyl)sulfonylpiperazine-1-carbonyl]phenyl]quinazolin-4-one Traditional Name: 3-[4-[4-(3,4-dimethylphenyl)sulfonylpiperazine-1-carbonyl]phenyl]quinazolin-4-one Formula: C27H26N4O4S MolecularWeight: 502.58474

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H26N4O4S/c1-19-7-12-23(17-20(19)2)36(34,35)30-15-13-29(14-16-30)26(32)21-8-10-22(11-9-21)31-18-28-25-6-4-3-5-24(25)27(31)33/h3-12,17-18H,13-16H2,1-2H3