2-(2-ethanoyl-1H-isoquinolin-1-yl)-N-(4-ethylsulfonylphenyl)ethanamide

Systemtic Name: 2-(2-ethanoyl-1H-isoquinolin-1-yl)-N-(4-ethylsulfonylphenyl)ethanamide Openeye Name: 2-(2-acetyl-1H-isoquinolin-1-yl)-N-(4-ethylsulfonylphenyl)acetamide CAS Name: 2-(2-acetyl-1H-isoquinolin-1-yl)-N-(4-ethylsulfonylphenyl)acetamide IUPAC Name: 2-(2-acetyl-1H-isoquinolin-1-yl)-N-(4-ethylsulfonylphenyl)acetamide Traditional Name: 2-(2-acetyl-1H-isoquinolin-1-yl)-N-(4-esylphenyl)acetamide Formula: C21H22N2O4S MolecularWeight: 398.47538

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)C1=CC=C(C=C1)NC(=O)CC2C3=CC=CC=C3C=CN2C(=O)C

Isomeric SMILES

CCS(=O)(=O)C1=CC=C(C=C1)NC(=O)CC2C3=CC=CC=C3C=CN2C(=O)C

InChI

InChI=1S/C21H22N2O4S/c1-3-28(26,27)18-10-8-17(9-11-18)22-21(25)14-20-19-7-5-4-6-16(19)12-13-23(20)15(2)24/h4-13,20H,3,14H2,1-2H3,(H,22,25)