(2-chloranyl-5-methylsulfonyl-phenyl)-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methanone

Systemtic Name: (2-chloranyl-5-methylsulfonyl-phenyl)-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methanone Openeye Name: (2-chloro-5-methylsulfonyl-phenyl)-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methanone CAS Name: (2-chloro-5-methylsulfonylphenyl)-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methanone IUPAC Name: (2-chloro-5-methylsulfonylphenyl)-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methanone Traditional Name: (2-chloro-5-mesyl-phenyl)-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methanone Formula: C19H20ClNO5S MolecularWeight: 409.8838

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2CN(CCC2=C1)C(=O)C3=C(C=CC(=C3)S(=O)(=O)C)Cl)OC

Isomeric SMILES

COC1=C(C=C2CN(CCC2=C1)C(=O)C3=C(C=CC(=C3)S(=O)(=O)C)Cl)OC

InChI

InChI=1S/C19H20ClNO5S/c1-25-17-8-12-6-7-21(11-13(12)9-18(17)26-2)19(22)15-10-14(27(3,23)24)4-5-16(15)20/h4-5,8-10H,6-7,11H2,1-3H3