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

Systemtic Name: 3-butanoyl-6-chloranyl-2-[(4-methylsulfonylphenyl)methyl]-4-phenyl-isoquinolin-1-one Openeye Name: 3-butanoyl-6-chloro-2-[(4-methylsulfonylphenyl)methyl]-4-phenyl-isoquinolin-1-one CAS Name: 6-chloro-2-[(4-methylsulfonylphenyl)methyl]-3-(1-oxobutyl)-4-phenyl-1-isoquinolinone IUPAC Name: 3-butanoyl-6-chloro-2-[(4-methylsulfonylphenyl)methyl]-4-phenylisoquinolin-1-one Traditional Name: 3-butyryl-6-chloro-2-(4-mesylbenzyl)-4-phenyl-isocarbostyril Formula: C27H24ClNO4S MolecularWeight: 494.00176

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H24ClNO4S/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/h4-6,8-16H,3,7,17H2,1-2H3