6-bromanyl-2-[(4-methylsulfonylphenyl)methyl]-3-(1-oxidanyl-2-pyridin-2-yl-ethyl)-4-phenyl-isoquinolin-1-one

Systemtic Name: 6-bromanyl-2-[(4-methylsulfonylphenyl)methyl]-3-(1-oxidanyl-2-pyridin-2-yl-ethyl)-4-phenyl-isoquinolin-1-one Openeye Name: 6-bromo-3-[1-hydroxy-2-(2-pyridyl)ethyl]-2-[(4-methylsulfonylphenyl)methyl]-4-phenyl-isoquinolin-1-one CAS Name: 6-bromo-3-[1-hydroxy-2-(2-pyridinyl)ethyl]-2-[(4-methylsulfonylphenyl)methyl]-4-phenyl-1-isoquinolinone IUPAC Name: 6-bromo-3-(1-hydroxy-2-pyridin-2-ylethyl)-2-[(4-methylsulfonylphenyl)methyl]-4-phenylisoquinolin-1-one Traditional Name: 6-bromo-3-[1-hydroxy-2-(2-pyridyl)ethyl]-2-(4-mesylbenzyl)-4-phenyl-isocarbostyril Formula: C30H25BrN2O4S MolecularWeight: 589.4995

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=C(C=C1)CN2C(=C(C3=C(C2=O)C=CC(=C3)Br)C4=CC=CC=C4)C(CC5=CC=CC=N5)O

Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)CN2C(=C(C3=C(C2=O)C=CC(=C3)Br)C4=CC=CC=C4)C(CC5=CC=CC=N5)O

InChI

InChI=1S/C30H25BrN2O4S/c1-38(36,37)24-13-10-20(11-14-24)19-33-29(27(34)18-23-9-5-6-16-32-23)28(21-7-3-2-4-8-21)26-17-22(31)12-15-25(26)30(33)35/h2-17,27,34H,18-19H2,1H3