4-tert-butyl-2-methoxy-N-(2-methylsulfonyl-3,4-dihydro-1H-isoquinolin-5-yl)benzamide

Systemtic Name: 4-tert-butyl-2-methoxy-N-(2-methylsulfonyl-3,4-dihydro-1H-isoquinolin-5-yl)benzamide Openeye Name: 4-tert-butyl-2-methoxy-N-(2-methylsulfonyl-3,4-dihydro-1H-isoquinolin-5-yl)benzamide CAS Name: 4-tert-butyl-2-methoxy-N-(2-methylsulfonyl-3,4-dihydro-1H-isoquinolin-5-yl)benzamide IUPAC Name: 4-tert-butyl-2-methoxy-N-(2-methylsulfonyl-3,4-dihydro-1H-isoquinolin-5-yl)benzamide Traditional Name: 4-tert-butyl-N-(2-mesyl-3,4-dihydro-1H-isoquinolin-5-yl)-2-methoxy-benzamide Formula: C22H28N2O4S MolecularWeight: 416.53372

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=C(C=C1)C(=O)NC2=CC=CC3=C2CCN(C3)S(=O)(=O)C)OC

Isomeric SMILES

CC(C)(C)C1=CC(=C(C=C1)C(=O)NC2=CC=CC3=C2CCN(C3)S(=O)(=O)C)OC

InChI

InChI=1S/C22H28N2O4S/c1-22(2,3)16-9-10-18(20(13-16)28-4)21(25)23-19-8-6-7-15-14-24(29(5,26)27)12-11-17(15)19/h6-10,13H,11-12,14H2,1-5H3,(H,23,25)