4-[2-(cyclopropylmethoxy)-5-methanesulfonylphenyl]-2-methylisoquinolin-1-one

CAS: 1706738-98-8

Formula: C21H21NO4S

SMILES: CN1C=C(C2=CC(=CC=C2OCC2CC2)S(C)(=O)=O)C2=CC=CC=C2C1=O

IUPAC: 4-[2-(cyclopropylmethoxy)-5-methanesulfonylphenyl]-2-methyl-1,2-dihydroisoquinolin-1-one

InChI: InChI=1S/C21H21NO4S/c1-22-12-19(16-5-3-4-6-17(16)21(22)23)18-11-15(27(2,24)25)9-10-20(18)26-13-14-7-8-14/h3-6,9-12,14H,7-8,13H2,1-2H3

Composition: C (65.78%), H (5.52%), N (3.65%), O (16.69%), S (8.36%)

Molar Mass: 383.46

Atom Count: 48

Heavy Atom Count: 27