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

Systemtic Name: 3-[4-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]carbonylphenyl]quinazolin-4-one Openeye Name: 3-[4-[4-(4-ethoxyphenyl)sulfonylpiperazine-1-carbonyl]phenyl]quinazolin-4-one CAS Name: 3-[4-[[4-(4-ethoxyphenyl)sulfonyl-1-piperazinyl]-oxomethyl]phenyl]-4-quinazolinone IUPAC Name: 3-[4-[4-(4-ethoxyphenyl)sulfonylpiperazine-1-carbonyl]phenyl]quinazolin-4-one Traditional Name: 3-[4-(4-p-phenetylsulfonylpiperazine-1-carbonyl)phenyl]quinazolin-4-one Formula: C27H26N4O5S MolecularWeight: 518.58414

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCOC1=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/C27H26N4O5S/c1-2-36-22-11-13-23(14-12-22)37(34,35)30-17-15-29(16-18-30)26(32)20-7-9-21(10-8-20)31-19-28-25-6-4-3-5-24(25)27(31)33/h3-14,19H,2,15-18H2,1H3