6-bromanyl-2-[(1-methylsulfonylpiperidin-4-yl)methyl]-1-oxidanylidene-4-phenyl-isoquinoline-3-carboxylic acid

Systemtic Name: 6-bromanyl-2-[(1-methylsulfonylpiperidin-4-yl)methyl]-1-oxidanylidene-4-phenyl-isoquinoline-3-carboxylic acid Openeye Name: 6-bromo-2-[(1-methylsulfonyl-4-piperidyl)methyl]-1-oxo-4-phenyl-isoquinoline-3-carboxylic acid CAS Name: 6-bromo-2-[(1-methylsulfonyl-4-piperidinyl)methyl]-1-oxo-4-phenyl-3-isoquinolinecarboxylic acid IUPAC Name: 6-bromo-2-[(1-methylsulfonylpiperidin-4-yl)methyl]-1-oxo-4-phenylisoquinoline-3-carboxylic acid Traditional Name: 6-bromo-1-keto-2-[(1-mesyl-4-piperidyl)methyl]-4-phenyl-isoquinoline-3-carboxylic acid Formula: C23H23BrN2O5S MolecularWeight: 519.40812

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CCC(CC1)CN2C(=C(C3=C(C2=O)C=CC(=C3)Br)C4=CC=CC=C4)C(=O)O

Isomeric SMILES

CS(=O)(=O)N1CCC(CC1)CN2C(=C(C3=C(C2=O)C=CC(=C3)Br)C4=CC=CC=C4)C(=O)O

InChI

InChI=1S/C23H23BrN2O5S/c1-32(30,31)25-11-9-15(10-12-25)14-26-21(23(28)29)20(16-5-3-2-4-6-16)19-13-17(24)7-8-18(19)22(26)27/h2-8,13,15H,9-12,14H2,1H3,(H,28,29)