6-chloranyl-4-(4-ethanoylphenyl)-2-[(4-methylsulfonylphenyl)methyl]-3-propanoyl-isoquinolin-1-one

Systemtic Name: 6-chloranyl-4-(4-ethanoylphenyl)-2-[(4-methylsulfonylphenyl)methyl]-3-propanoyl-isoquinolin-1-one Openeye Name: 4-(4-acetylphenyl)-6-chloro-2-[(4-methylsulfonylphenyl)methyl]-3-propanoyl-isoquinolin-1-one CAS Name: 4-(4-acetylphenyl)-6-chloro-2-[(4-methylsulfonylphenyl)methyl]-3-(1-oxopropyl)-1-isoquinolinone IUPAC Name: 4-(4-acetylphenyl)-6-chloro-2-[(4-methylsulfonylphenyl)methyl]-3-propanoylisoquinolin-1-one Traditional Name: 4-(4-acetylphenyl)-6-chloro-2-(4-mesylbenzyl)-3-propionyl-isocarbostyril Formula: C28H24ClNO5S MolecularWeight: 522.01186

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H24ClNO5S/c1-4-25(32)27-26(20-9-7-19(8-10-20)17(2)31)24-15-21(29)11-14-23(24)28(33)30(27)16-18-5-12-22(13-6-18)36(3,34)35/h5-15H,4,16H2,1-3H3