6-bromanyl-1-oxidanylidene-2-[[4-(4-oxidanyl-4-oxidanylidene-butyl)sulfonylphenyl]methyl]-4-phenyl-isoquinoline-3-carboxylic acid

Systemtic Name: 6-bromanyl-1-oxidanylidene-2-[[4-(4-oxidanyl-4-oxidanylidene-butyl)sulfonylphenyl]methyl]-4-phenyl-isoquinoline-3-carboxylic acid Openeye Name: 6-bromo-2-[[4-(4-hydroxy-4-oxo-butyl)sulfonylphenyl]methyl]-1-oxo-4-phenyl-isoquinoline-3-carboxylic acid CAS Name: 6-bromo-2-[[4-(4-hydroxy-4-oxobutyl)sulfonylphenyl]methyl]-1-oxo-4-phenyl-3-isoquinolinecarboxylic acid IUPAC Name: 6-bromo-2-[[4-(4-hydroxy-4-oxobutyl)sulfonylphenyl]methyl]-1-oxo-4-phenylisoquinoline-3-carboxylic acid Traditional Name: 6-bromo-2-[4-(4-hydroxy-4-keto-butyl)sulfonylbenzyl]-1-keto-4-phenyl-isoquinoline-3-carboxylic acid Formula: C27H22BrNO7S MolecularWeight: 584.43508

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C(N(C(=O)C3=C2C=C(C=C3)Br)CC4=CC=C(C=C4)S(=O)(=O)CCCC(=O)O)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)C2=C(N(C(=O)C3=C2C=C(C=C3)Br)CC4=CC=C(C=C4)S(=O)(=O)CCCC(=O)O)C(=O)O

InChI

InChI=1S/C27H22BrNO7S/c28-19-10-13-21-22(15-19)24(18-5-2-1-3-6-18)25(27(33)34)29(26(21)32)16-17-8-11-20(12-9-17)37(35,36)14-4-7-23(30)31/h1-3,5-6,8-13,15H,4,7,14,16H2,(H,30,31)(H,33,34)