N-(2-bromanyl-4-pyridin-4-ylcarbonyl-phenyl)-3-[6-(2-methylsulfonylpropan-2-yl)quinolin-8-yl]benzamide

Systemtic Name: N-(2-bromanyl-4-pyridin-4-ylcarbonyl-phenyl)-3-[6-(2-methylsulfonylpropan-2-yl)quinolin-8-yl]benzamide Openeye Name: N-[2-bromo-4-(pyridine-4-carbonyl)phenyl]-3-[6-(1-methyl-1-methylsulfonyl-ethyl)-8-quinolyl]benzamide CAS Name: N-[2-bromo-4-[oxo(pyridin-4-yl)methyl]phenyl]-3-[6-(2-methylsulfonylpropan-2-yl)-8-quinolinyl]benzamide IUPAC Name: N-[2-bromo-4-(pyridine-4-carbonyl)phenyl]-3-[6-(2-methylsulfonylpropan-2-yl)quinolin-8-yl]benzamide Traditional Name: N-(2-bromo-4-isonicotinoyl-phenyl)-3-[6-(1-mesyl-1-methyl-ethyl)-8-quinolyl]benzamide Formula: C32H26BrN3O4S MolecularWeight: 628.53554

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C1=CC(=C2C(=C1)C=CC=N2)C3=CC(=CC=C3)C(=O)NC4=C(C=C(C=C4)C(=O)C5=CC=NC=C5)Br)S(=O)(=O)C

Isomeric SMILES

CC(C)(C1=CC(=C2C(=C1)C=CC=N2)C3=CC(=CC=C3)C(=O)NC4=C(C=C(C=C4)C(=O)C5=CC=NC=C5)Br)S(=O)(=O)C

InChI

InChI=1S/C32H26BrN3O4S/c1-32(2,41(3,39)40)25-17-22-8-5-13-35-29(22)26(19-25)21-6-4-7-24(16-21)31(38)36-28-10-9-23(18-27(28)33)30(37)20-11-14-34-15-12-20/h4-19H,1-3H3,(H,36,38)