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

Systemtic Name: 4-ethoxy-N-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-methylsulfonyl-benzamide Openeye Name: 4-ethoxy-N-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-methylsulfonyl-benzamide CAS Name: 4-ethoxy-N-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-methylsulfonylbenzamide IUPAC Name: 4-ethoxy-N-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-methylsulfonylbenzamide Traditional Name: 4-ethoxy-3-mesyl-N-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)benzamide Formula: C20H24N2O4S MolecularWeight: 388.48056

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(=O)NC2=CC3=C(CCN(C3)C)C=C2)S(=O)(=O)C

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=O)NC2=CC3=C(CCN(C3)C)C=C2)S(=O)(=O)C

InChI

InChI=1S/C20H24N2O4S/c1-4-26-18-8-6-15(12-19(18)27(3,24)25)20(23)21-17-7-5-14-9-10-22(2)13-16(14)11-17/h5-8,11-12H,4,9-10,13H2,1-3H3,(H,21,23)