4-tert-butyl-N-(2-methylsulfonyl-3,4-dihydro-1H-isoquinolin-7-yl)benzamide

Systemtic Name: 4-tert-butyl-N-(2-methylsulfonyl-3,4-dihydro-1H-isoquinolin-7-yl)benzamide Openeye Name: 4-tert-butyl-N-(2-methylsulfonyl-3,4-dihydro-1H-isoquinolin-7-yl)benzamide CAS Name: 4-tert-butyl-N-(2-methylsulfonyl-3,4-dihydro-1H-isoquinolin-7-yl)benzamide IUPAC Name: 4-tert-butyl-N-(2-methylsulfonyl-3,4-dihydro-1H-isoquinolin-7-yl)benzamide Traditional Name: 4-tert-butyl-N-(2-mesyl-3,4-dihydro-1H-isoquinolin-7-yl)benzamide Formula: C21H26N2O3S MolecularWeight: 386.50774

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C(=O)NC2=CC3=C(CCN(C3)S(=O)(=O)C)C=C2

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(=O)NC2=CC3=C(CCN(C3)S(=O)(=O)C)C=C2

InChI

InChI=1S/C21H26N2O3S/c1-21(2,3)18-8-5-16(6-9-18)20(24)22-19-10-7-15-11-12-23(27(4,25)26)14-17(15)13-19/h5-10,13H,11-12,14H2,1-4H3,(H,22,24)