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

Systemtic Name: 3-[4-[4-(4-cyclohexylphenyl)sulfonylpiperazin-1-yl]carbonylphenyl]quinazolin-4-one Openeye Name: 3-[4-[4-(4-cyclohexylphenyl)sulfonylpiperazine-1-carbonyl]phenyl]quinazolin-4-one CAS Name: 3-[4-[[4-(4-cyclohexylphenyl)sulfonyl-1-piperazinyl]-oxomethyl]phenyl]-4-quinazolinone IUPAC Name: 3-[4-[4-(4-cyclohexylphenyl)sulfonylpiperazine-1-carbonyl]phenyl]quinazolin-4-one Traditional Name: 3-[4-[4-(4-cyclohexylphenyl)sulfonylpiperazine-1-carbonyl]phenyl]quinazolin-4-one Formula: C31H32N4O4S MolecularWeight: 556.67518

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C2=CC=C(C=C2)S(=O)(=O)N3CCN(CC3)C(=O)C4=CC=C(C=C4)N5C=NC6=CC=CC=C6C5=O

Isomeric SMILES

C1CCC(CC1)C2=CC=C(C=C2)S(=O)(=O)N3CCN(CC3)C(=O)C4=CC=C(C=C4)N5C=NC6=CC=CC=C6C5=O

InChI

InChI=1S/C31H32N4O4S/c36-30(25-10-14-26(15-11-25)35-22-32-29-9-5-4-8-28(29)31(35)37)33-18-20-34(21-19-33)40(38,39)27-16-12-24(13-17-27)23-6-2-1-3-7-23/h4-5,8-17,22-23H,1-3,6-7,18-21H2