3-(4-bromophenyl)-2-[1-[3-methyl-4-(4-methylphenyl)sulfonyl-piperazin-1-yl]propyl]quinazolin-4-one

Systemtic Name: 3-(4-bromophenyl)-2-[1-[3-methyl-4-(4-methylphenyl)sulfonyl-piperazin-1-yl]propyl]quinazolin-4-one Openeye Name: 3-(4-bromophenyl)-2-[1-[3-methyl-4-(p-tolylsulfonyl)piperazin-1-yl]propyl]quinazolin-4-one CAS Name: 3-(4-bromophenyl)-2-[1-[3-methyl-4-(4-methylphenyl)sulfonyl-1-piperazinyl]propyl]-4-quinazolinone IUPAC Name: 3-(4-bromophenyl)-2-[1-[3-methyl-4-(4-methylphenyl)sulfonylpiperazin-1-yl]propyl]quinazolin-4-one Traditional Name: 3-(4-bromophenyl)-2-[1-(3-methyl-4-tosyl-piperazino)propyl]quinazolin-4-one Formula: C29H31BrN4O3S MolecularWeight: 595.55044

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=NC2=CC=CC=C2C(=O)N1C3=CC=C(C=C3)Br)N4CCN(C(C4)C)S(=O)(=O)C5=CC=C(C=C5)C

Isomeric SMILES

CCC(C1=NC2=CC=CC=C2C(=O)N1C3=CC=C(C=C3)Br)N4CCN(C(C4)C)S(=O)(=O)C5=CC=C(C=C5)C

InChI

InChI=1S/C29H31BrN4O3S/c1-4-27(32-17-18-33(21(3)19-32)38(36,37)24-15-9-20(2)10-16-24)28-31-26-8-6-5-7-25(26)29(35)34(28)23-13-11-22(30)12-14-23/h5-16,21,27H,4,17-19H2,1-3H3