3-oxidanyl-2-(phenylmethyl)-4-(phenylsulfonyl)isoquinolin-1-one

Systemtic Name: 3-oxidanyl-2-(phenylmethyl)-4-(phenylsulfonyl)isoquinolin-1-one Openeye Name: 4-(benzenesulfonyl)-2-benzyl-3-hydroxy-isoquinolin-1-one CAS Name: 4-(benzenesulfonyl)-3-hydroxy-2-(phenylmethyl)-1-isoquinolinone IUPAC Name: 4-(benzenesulfonyl)-2-benzyl-3-hydroxyisoquinolin-1-one Traditional Name: 2-benzyl-4-besyl-3-hydroxy-isocarbostyril Formula: C22H17NO4S MolecularWeight: 391.43968

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C(=C(C3=CC=CC=C3C2=O)S(=O)(=O)C4=CC=CC=C4)O

Isomeric SMILES

C1=CC=C(C=C1)CN2C(=C(C3=CC=CC=C3C2=O)S(=O)(=O)C4=CC=CC=C4)O

InChI

InChI=1S/C22H17NO4S/c24-21-19-14-8-7-13-18(19)20(28(26,27)17-11-5-2-6-12-17)22(25)23(21)15-16-9-3-1-4-10-16/h1-14,25H,15H2