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

Systemtic Name: 3-[4-[4-(3,4-diethoxyphenyl)sulfonylpiperazin-1-yl]carbonylphenyl]quinazolin-4-one Openeye Name: 3-[4-[4-(3,4-diethoxyphenyl)sulfonylpiperazine-1-carbonyl]phenyl]quinazolin-4-one CAS Name: 3-[4-[[4-(3,4-diethoxyphenyl)sulfonyl-1-piperazinyl]-oxomethyl]phenyl]-4-quinazolinone IUPAC Name: 3-[4-[4-(3,4-diethoxyphenyl)sulfonylpiperazine-1-carbonyl]phenyl]quinazolin-4-one Traditional Name: 3-[4-[4-(3,4-diethoxyphenyl)sulfonylpiperazine-1-carbonyl]phenyl]quinazolin-4-one Formula: C29H30N4O6S MolecularWeight: 562.6367

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)C3=CC=C(C=C3)N4C=NC5=CC=CC=C5C4=O)OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)C3=CC=C(C=C3)N4C=NC5=CC=CC=C5C4=O)OCC

InChI

InChI=1S/C29H30N4O6S/c1-3-38-26-14-13-23(19-27(26)39-4-2)40(36,37)32-17-15-31(16-18-32)28(34)21-9-11-22(12-10-21)33-20-30-25-8-6-5-7-24(25)29(33)35/h5-14,19-20H,3-4,15-18H2,1-2H3