2-[[3,4-bis(fluoranyl)phenyl]methyl]-6-chloranyl-3-oxidanyl-4-propan-2-ylsulfonyl-isoquinolin-1-one

Systemtic Name: 2-[[3,4-bis(fluoranyl)phenyl]methyl]-6-chloranyl-3-oxidanyl-4-propan-2-ylsulfonyl-isoquinolin-1-one Openeye Name: 6-chloro-2-[(3,4-difluorophenyl)methyl]-3-hydroxy-4-isopropylsulfonyl-isoquinolin-1-one CAS Name: 6-chloro-2-[(3,4-difluorophenyl)methyl]-3-hydroxy-4-propan-2-ylsulfonyl-1-isoquinolinone IUPAC Name: 6-chloro-2-[(3,4-difluorophenyl)methyl]-3-hydroxy-4-propan-2-ylsulfonylisoquinolin-1-one Traditional Name: 6-chloro-2-(3,4-difluorobenzyl)-3-hydroxy-4-isopropylsulfonyl-isocarbostyril Formula: C19H16ClF2NO4S MolecularWeight: 427.849446

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)S(=O)(=O)C1=C(N(C(=O)C2=C1C=C(C=C2)Cl)CC3=CC(=C(C=C3)F)F)O

Isomeric SMILES

CC(C)S(=O)(=O)C1=C(N(C(=O)C2=C1C=C(C=C2)Cl)CC3=CC(=C(C=C3)F)F)O

InChI

InChI=1S/C19H16ClF2NO4S/c1-10(2)28(26,27)17-14-8-12(20)4-5-13(14)18(24)23(19(17)25)9-11-3-6-15(21)16(22)7-11/h3-8,10,25H,9H2,1-2H3