6-chloranyl-3-oxidanyl-2-(phenylmethyl)-4-propan-2-ylsulfonyl-isoquinolin-1-one

Systemtic Name: 6-chloranyl-3-oxidanyl-2-(phenylmethyl)-4-propan-2-ylsulfonyl-isoquinolin-1-one Openeye Name: 2-benzyl-6-chloro-3-hydroxy-4-isopropylsulfonyl-isoquinolin-1-one CAS Name: 6-chloro-3-hydroxy-2-(phenylmethyl)-4-propan-2-ylsulfonyl-1-isoquinolinone IUPAC Name: 2-benzyl-6-chloro-3-hydroxy-4-propan-2-ylsulfonylisoquinolin-1-one Traditional Name: 2-benzyl-6-chloro-3-hydroxy-4-isopropylsulfonyl-isocarbostyril Formula: C19H18ClNO4S MolecularWeight: 391.86852

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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=CC=C3)O

Isomeric SMILES

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

InChI

InChI=1S/C19H18ClNO4S/c1-12(2)26(24,25)17-16-10-14(20)8-9-15(16)18(22)21(19(17)23)11-13-6-4-3-5-7-13/h3-10,12,23H,11H2,1-2H3