[2-(4-bromophenyl)quinolin-4-yl]-(4-methylsulfonylpiperazin-1-yl)methanone

Systemtic Name: [2-(4-bromophenyl)quinolin-4-yl]-(4-methylsulfonylpiperazin-1-yl)methanone Openeye Name: [2-(4-bromophenyl)-4-quinolyl]-(4-methylsulfonylpiperazin-1-yl)methanone CAS Name: [2-(4-bromophenyl)-4-quinolinyl]-(4-methylsulfonyl-1-piperazinyl)methanone IUPAC Name: [2-(4-bromophenyl)quinolin-4-yl]-(4-methylsulfonylpiperazin-1-yl)methanone Traditional Name: [2-(4-bromophenyl)-4-quinolyl]-(4-mesylpiperazino)methanone Formula: C21H20BrN3O3S MolecularWeight: 474.3708

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CCN(CC1)C(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=C(C=C4)Br

Isomeric SMILES

CS(=O)(=O)N1CCN(CC1)C(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=C(C=C4)Br

InChI

InChI=1S/C21H20BrN3O3S/c1-29(27,28)25-12-10-24(11-13-25)21(26)18-14-20(15-6-8-16(22)9-7-15)23-19-5-3-2-4-17(18)19/h2-9,14H,10-13H2,1H3