2-bromanyl-5-methoxy-N-(2-methylsulfonyl-3,4-dihydro-1H-isoquinolin-7-yl)benzamide

Systemtic Name: 2-bromanyl-5-methoxy-N-(2-methylsulfonyl-3,4-dihydro-1H-isoquinolin-7-yl)benzamide Openeye Name: 2-bromo-5-methoxy-N-(2-methylsulfonyl-3,4-dihydro-1H-isoquinolin-7-yl)benzamide CAS Name: 2-bromo-5-methoxy-N-(2-methylsulfonyl-3,4-dihydro-1H-isoquinolin-7-yl)benzamide IUPAC Name: 2-bromo-5-methoxy-N-(2-methylsulfonyl-3,4-dihydro-1H-isoquinolin-7-yl)benzamide Traditional Name: 2-bromo-N-(2-mesyl-3,4-dihydro-1H-isoquinolin-7-yl)-5-methoxy-benzamide Formula: C18H19BrN2O4S MolecularWeight: 439.32346

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)Br)C(=O)NC2=CC3=C(CCN(C3)S(=O)(=O)C)C=C2

Isomeric SMILES

COC1=CC(=C(C=C1)Br)C(=O)NC2=CC3=C(CCN(C3)S(=O)(=O)C)C=C2

InChI

InChI=1S/C18H19BrN2O4S/c1-25-15-5-6-17(19)16(10-15)18(22)20-14-4-3-12-7-8-21(26(2,23)24)11-13(12)9-14/h3-6,9-10H,7-8,11H2,1-2H3,(H,20,22)