N-[2-(2-hydroxyethyl)-1-oxidanylidene-isoquinolin-5-yl]-2-(4-methylsulfonylphenyl)ethanamide

Systemtic Name: N-[2-(2-hydroxyethyl)-1-oxidanylidene-isoquinolin-5-yl]-2-(4-methylsulfonylphenyl)ethanamide Openeye Name: N-[2-(2-hydroxyethyl)-1-oxo-5-isoquinolyl]-2-(4-methylsulfonylphenyl)acetamide CAS Name: N-[2-(2-hydroxyethyl)-1-oxo-5-isoquinolinyl]-2-(4-methylsulfonylphenyl)acetamide IUPAC Name: N-[2-(2-hydroxyethyl)-1-oxoisoquinolin-5-yl]-2-(4-methylsulfonylphenyl)acetamide Traditional Name: N-[2-(2-hydroxyethyl)-1-keto-5-isoquinolyl]-2-(4-mesylphenyl)acetamide Formula: C20H20N2O5S MolecularWeight: 400.4482

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=C(C=C1)CC(=O)NC2=CC=CC3=C2C=CN(C3=O)CCO

Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)CC(=O)NC2=CC=CC3=C2C=CN(C3=O)CCO

InChI

InChI=1S/C20H20N2O5S/c1-28(26,27)15-7-5-14(6-8-15)13-19(24)21-18-4-2-3-17-16(18)9-10-22(11-12-23)20(17)25/h2-10,23H,11-13H2,1H3,(H,21,24)