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

Systemtic Name: 6-chloranyl-3-(1-hydroxyethyl)-2-[(4-methylsulfonylphenyl)methyl]-4-phenyl-isoquinolin-1-one Openeye Name: 6-chloro-3-(1-hydroxyethyl)-2-[(4-methylsulfonylphenyl)methyl]-4-phenyl-isoquinolin-1-one CAS Name: 6-chloro-3-(1-hydroxyethyl)-2-[(4-methylsulfonylphenyl)methyl]-4-phenyl-1-isoquinolinone IUPAC Name: 6-chloro-3-(1-hydroxyethyl)-2-[(4-methylsulfonylphenyl)methyl]-4-phenylisoquinolin-1-one Traditional Name: 6-chloro-3-(1-hydroxyethyl)-2-(4-mesylbenzyl)-4-phenyl-isocarbostyril Formula: C25H22ClNO4S MolecularWeight: 467.96448

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Descriptors Computed from Structure

Canonical SMILES:

CC(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

CC(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/C25H22ClNO4S/c1-16(28)24-23(18-6-4-3-5-7-18)22-14-19(26)10-13-21(22)25(29)27(24)15-17-8-11-20(12-9-17)32(2,30)31/h3-14,16,28H,15H2,1-2H3