N-[(4-tert-butylphenyl)methyl]-2-isoquinolin-5-yl-2-methylsulfonyl-ethanamide

Systemtic Name: N-[(4-tert-butylphenyl)methyl]-2-isoquinolin-5-yl-2-methylsulfonyl-ethanamide Openeye Name: N-[(4-tert-butylphenyl)methyl]-2-(5-isoquinolyl)-2-methylsulfonyl-acetamide CAS Name: N-[(4-tert-butylphenyl)methyl]-2-(5-isoquinolinyl)-2-methylsulfonylacetamide IUPAC Name: N-[(4-tert-butylphenyl)methyl]-2-isoquinolin-5-yl-2-methylsulfonylacetamide Traditional Name: N-(4-tert-butylbenzyl)-2-(5-isoquinolyl)-2-mesyl-acetamide Formula: C23H26N2O3S MolecularWeight: 410.52914

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)CNC(=O)C(C2=CC=CC3=C2C=CN=C3)S(=O)(=O)C

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)CNC(=O)C(C2=CC=CC3=C2C=CN=C3)S(=O)(=O)C

InChI

InChI=1S/C23H26N2O3S/c1-23(2,3)18-10-8-16(9-11-18)14-25-22(26)21(29(4,27)28)20-7-5-6-17-15-24-13-12-19(17)20/h5-13,15,21H,14H2,1-4H3,(H,25,26)