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

Systemtic Name: 3-(4-bromophenyl)-2-[1-[4-(4-methoxyphenyl)sulfonyl-3-methyl-piperazin-1-yl]propyl]quinazolin-4-one Openeye Name: 3-(4-bromophenyl)-2-[1-[4-(4-methoxyphenyl)sulfonyl-3-methyl-piperazin-1-yl]propyl]quinazolin-4-one CAS Name: 3-(4-bromophenyl)-2-[1-[4-(4-methoxyphenyl)sulfonyl-3-methyl-1-piperazinyl]propyl]-4-quinazolinone IUPAC Name: 3-(4-bromophenyl)-2-[1-[4-(4-methoxyphenyl)sulfonyl-3-methylpiperazin-1-yl]propyl]quinazolin-4-one Traditional Name: 3-(4-bromophenyl)-2-[1-[4-(4-methoxyphenyl)sulfonyl-3-methyl-piperazino]propyl]quinazolin-4-one Formula: C29H31BrN4O4S MolecularWeight: 611.54984

Click to see the large picture

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)OC

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)OC

InChI

InChI=1S/C29H31BrN4O4S/c1-4-27(32-17-18-33(20(2)19-32)39(36,37)24-15-13-23(38-3)14-16-24)28-31-26-8-6-5-7-25(26)29(35)34(28)22-11-9-21(30)10-12-22/h5-16,20,27H,4,17-19H2,1-3H3