3-[4-[4-(4-butan-2-ylphenyl)sulfonylpiperazin-1-yl]carbonylphenyl]quinazolin-4-one

Systemtic Name: 3-[4-[4-(4-butan-2-ylphenyl)sulfonylpiperazin-1-yl]carbonylphenyl]quinazolin-4-one Openeye Name: 3-[4-[4-(4-sec-butylphenyl)sulfonylpiperazine-1-carbonyl]phenyl]quinazolin-4-one CAS Name: 3-[4-[[4-(4-butan-2-ylphenyl)sulfonyl-1-piperazinyl]-oxomethyl]phenyl]-4-quinazolinone IUPAC Name: 3-[4-[4-(4-butan-2-ylphenyl)sulfonylpiperazine-1-carbonyl]phenyl]quinazolin-4-one Traditional Name: 3-[4-[4-(4-sec-butylphenyl)sulfonylpiperazine-1-carbonyl]phenyl]quinazolin-4-one Formula: C29H30N4O4S MolecularWeight: 530.6379

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H30N4O4S/c1-3-21(2)22-10-14-25(15-11-22)38(36,37)32-18-16-31(17-19-32)28(34)23-8-12-24(13-9-23)33-20-30-27-7-5-4-6-26(27)29(33)35/h4-15,20-21H,3,16-19H2,1-2H3