N-[2-(2-hydroxyethyl)-1-oxidanylidene-isoquinolin-5-yl]-3-(4-methylsulfonylphenyl)propanamide

Systemtic Name: N-[2-(2-hydroxyethyl)-1-oxidanylidene-isoquinolin-5-yl]-3-(4-methylsulfonylphenyl)propanamide Openeye Name: N-[2-(2-hydroxyethyl)-1-oxo-5-isoquinolyl]-3-(4-methylsulfonylphenyl)propanamide CAS Name: N-[2-(2-hydroxyethyl)-1-oxo-5-isoquinolinyl]-3-(4-methylsulfonylphenyl)propanamide IUPAC Name: N-[2-(2-hydroxyethyl)-1-oxoisoquinolin-5-yl]-3-(4-methylsulfonylphenyl)propanamide Traditional Name: N-[2-(2-hydroxyethyl)-1-keto-5-isoquinolyl]-3-(4-mesylphenyl)propionamide Formula: C21H22N2O5S MolecularWeight: 414.47478

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22N2O5S/c1-29(27,28)16-8-5-15(6-9-16)7-10-20(25)22-19-4-2-3-18-17(19)11-12-23(13-14-24)21(18)26/h2-6,8-9,11-12,24H,7,10,13-14H2,1H3,(H,22,25)