2-[1-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]propyl]-3-(phenylmethyl)quinazolin-4-one

Systemtic Name: 2-[1-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]propyl]-3-(phenylmethyl)quinazolin-4-one Openeye Name: 3-benzyl-2-[1-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]propyl]quinazolin-4-one CAS Name: 2-[1-[4-(4-bromophenyl)sulfonyl-1-piperazinyl]propyl]-3-(phenylmethyl)-4-quinazolinone IUPAC Name: 3-benzyl-2-[1-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]propyl]quinazolin-4-one Traditional Name: 3-benzyl-2-[1-(4-brosylpiperazino)propyl]quinazolin-4-one Formula: C28H29BrN4O3S MolecularWeight: 581.52386

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=NC2=CC=CC=C2C(=O)N1CC3=CC=CC=C3)N4CCN(CC4)S(=O)(=O)C5=CC=C(C=C5)Br

Isomeric SMILES

CCC(C1=NC2=CC=CC=C2C(=O)N1CC3=CC=CC=C3)N4CCN(CC4)S(=O)(=O)C5=CC=C(C=C5)Br

InChI

InChI=1S/C28H29BrN4O3S/c1-2-26(31-16-18-32(19-17-31)37(35,36)23-14-12-22(29)13-15-23)27-30-25-11-7-6-10-24(25)28(34)33(27)20-21-8-4-3-5-9-21/h3-15,26H,2,16-20H2,1H3