3-(phenylsulfonylmethyl)-2H-isoquinolin-1-one

Systemtic Name: 3-(phenylsulfonylmethyl)-2H-isoquinolin-1-one Openeye Name: 3-(benzenesulfonylmethyl)-2H-isoquinolin-1-one CAS Name: 3-(benzenesulfonylmethyl)-2H-isoquinolin-1-one IUPAC Name: 3-(benzenesulfonylmethyl)-2H-isoquinolin-1-one Traditional Name: 3-(besylmethyl)isocarbostyril Formula: C16H13NO3S MolecularWeight: 299.34432

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)S(=O)(=O)CC2=CC3=CC=CC=C3C(=O)N2

Isomeric SMILES

C1=CC=C(C=C1)S(=O)(=O)CC2=CC3=CC=CC=C3C(=O)N2

InChI

InChI=1S/C16H13NO3S/c18-16-15-9-5-4-6-12(15)10-13(17-16)11-21(19,20)14-7-2-1-3-8-14/h1-10H,11H2,(H,17,18)