6-chloranyl-2-[(4-methylsulfonylphenyl)methyl]-3-(1-oxidanylbutyl)-4-phenyl-isoquinolin-1-one

Systemtic Name: 6-chloranyl-2-[(4-methylsulfonylphenyl)methyl]-3-(1-oxidanylbutyl)-4-phenyl-isoquinolin-1-one Openeye Name: 6-chloro-3-(1-hydroxybutyl)-2-[(4-methylsulfonylphenyl)methyl]-4-phenyl-isoquinolin-1-one CAS Name: 6-chloro-3-(1-hydroxybutyl)-2-[(4-methylsulfonylphenyl)methyl]-4-phenyl-1-isoquinolinone IUPAC Name: 6-chloro-3-(1-hydroxybutyl)-2-[(4-methylsulfonylphenyl)methyl]-4-phenylisoquinolin-1-one Traditional Name: 6-chloro-3-(1-hydroxybutyl)-2-(4-mesylbenzyl)-4-phenyl-isocarbostyril Formula: C27H26ClNO4S MolecularWeight: 496.01764

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C1=C(C2=C(C=CC(=C2)Cl)C(=O)N1CC3=CC=C(C=C3)S(=O)(=O)C)C4=CC=CC=C4)O

Isomeric SMILES

CCCC(C1=C(C2=C(C=CC(=C2)Cl)C(=O)N1CC3=CC=C(C=C3)S(=O)(=O)C)C4=CC=CC=C4)O

InChI

InChI=1S/C27H26ClNO4S/c1-3-7-24(30)26-25(19-8-5-4-6-9-19)23-16-20(28)12-15-22(23)27(31)29(26)17-18-10-13-21(14-11-18)34(2,32)33/h4-6,8-16,24,30H,3,7,17H2,1-2H3