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

Systemtic Name: 4-ethyl-N-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-methylsulfonyl-benzamide Openeye Name: 4-ethyl-N-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-methylsulfonyl-benzamide CAS Name: 4-ethyl-N-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-methylsulfonylbenzamide IUPAC Name: 4-ethyl-N-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-methylsulfonylbenzamide Traditional Name: 4-ethyl-3-mesyl-N-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)benzamide Formula: C20H24N2O3S MolecularWeight: 372.48116

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C(C=C1)C(=O)NC2=CC3=C(CCN(C3)C)C=C2)S(=O)(=O)C

Isomeric SMILES

CCC1=C(C=C(C=C1)C(=O)NC2=CC3=C(CCN(C3)C)C=C2)S(=O)(=O)C

InChI

InChI=1S/C20H24N2O3S/c1-4-14-5-6-16(12-19(14)26(3,24)25)20(23)21-18-8-7-15-9-10-22(2)13-17(15)11-18/h5-8,11-12H,4,9-10,13H2,1-3H3,(H,21,23)