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

Systemtic Name: (2-chloranyl-5-methylsulfonyl-phenyl)-(6,7-dimethoxy-1-thiophen-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)methanone Openeye Name: (2-chloro-5-methylsulfonyl-phenyl)-[6,7-dimethoxy-1-(2-thienyl)-3,4-dihydro-1H-isoquinolin-2-yl]methanone CAS Name: (2-chloro-5-methylsulfonylphenyl)-(6,7-dimethoxy-1-thiophen-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)methanone IUPAC Name: (2-chloro-5-methylsulfonylphenyl)-(6,7-dimethoxy-1-thiophen-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)methanone Traditional Name: (2-chloro-5-mesyl-phenyl)-[6,7-dimethoxy-1-(2-thienyl)-3,4-dihydro-1H-isoquinolin-2-yl]methanone Formula: C23H22ClNO5S2 MolecularWeight: 492.00748

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(N(CCC2=C1)C(=O)C3=C(C=CC(=C3)S(=O)(=O)C)Cl)C4=CC=CS4)OC

Isomeric SMILES

COC1=C(C=C2C(N(CCC2=C1)C(=O)C3=C(C=CC(=C3)S(=O)(=O)C)Cl)C4=CC=CS4)OC

InChI

InChI=1S/C23H22ClNO5S2/c1-29-19-11-14-8-9-25(22(21-5-4-10-31-21)16(14)13-20(19)30-2)23(26)17-12-15(32(3,27)28)6-7-18(17)24/h4-7,10-13,22H,8-9H2,1-3H3