2-[(1S)-2-ethanoyl-1H-isoquinolin-1-yl]-N-(3-methylsulfonylphenyl)ethanamide

Systemtic Name: 2-[(1S)-2-ethanoyl-1H-isoquinolin-1-yl]-N-(3-methylsulfonylphenyl)ethanamide Openeye Name: 2-[(1S)-2-acetyl-1H-isoquinolin-1-yl]-N-(3-methylsulfonylphenyl)acetamide CAS Name: 2-[(1S)-2-acetyl-1H-isoquinolin-1-yl]-N-(3-methylsulfonylphenyl)acetamide IUPAC Name: 2-[(1S)-2-acetyl-1H-isoquinolin-1-yl]-N-(3-methylsulfonylphenyl)acetamide Traditional Name: 2-[(1S)-2-acetyl-1H-isoquinolin-1-yl]-N-(3-mesylphenyl)acetamide Formula: C20H20N2O4S MolecularWeight: 384.4488

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1C=CC2=CC=CC=C2C1CC(=O)NC3=CC(=CC=C3)S(=O)(=O)C

Isomeric SMILES

CC(=O)N1C=CC2=CC=CC=C2[C@@H]1CC(=O)NC3=CC(=CC=C3)S(=O)(=O)C

InChI

InChI=1S/C20H20N2O4S/c1-14(23)22-11-10-15-6-3-4-9-18(15)19(22)13-20(24)21-16-7-5-8-17(12-16)27(2,25)26/h3-12,19H,13H2,1-2H3,(H,21,24)/t19-/m0/s1