2-(3-bromophenyl)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)quinoline-4-carboxamide

Systemtic Name: 2-(3-bromophenyl)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)quinoline-4-carboxamide Openeye Name: 2-(3-bromophenyl)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)quinoline-4-carboxamide CAS Name: 2-(3-bromophenyl)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-4-quinolinecarboxamide IUPAC Name: 2-(3-bromophenyl)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)quinoline-4-carboxamide Traditional Name: 2-(3-bromophenyl)-N-(6-mesyl-1,3-benzothiazol-2-yl)cinchoninamide Formula: C24H16BrN3O3S2 MolecularWeight: 538.43614

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC2=C(C=C1)N=C(S2)NC(=O)C3=CC(=NC4=CC=CC=C43)C5=CC(=CC=C5)Br

Isomeric SMILES

CS(=O)(=O)C1=CC2=C(C=C1)N=C(S2)NC(=O)C3=CC(=NC4=CC=CC=C43)C5=CC(=CC=C5)Br

InChI

InChI=1S/C24H16BrN3O3S2/c1-33(30,31)16-9-10-20-22(12-16)32-24(27-20)28-23(29)18-13-21(14-5-4-6-15(25)11-14)26-19-8-3-2-7-17(18)19/h2-13H,1H3,(H,27,28,29)