(1R)-2-[(5-chloranyl-3-methyl-1-benzothiophen-2-yl)sulfonyl]-6,7-dimethoxy-1-methyl-3,4-dihydro-1H-isoquinoline

Systemtic Name: (1R)-2-[(5-chloranyl-3-methyl-1-benzothiophen-2-yl)sulfonyl]-6,7-dimethoxy-1-methyl-3,4-dihydro-1H-isoquinoline Openeye Name: (1R)-2-(5-chloro-3-methyl-benzothiophen-2-yl)sulfonyl-6,7-dimethoxy-1-methyl-3,4-dihydro-1H-isoquinoline CAS Name: (1R)-2-[(5-chloro-3-methyl-1-benzothiophen-2-yl)sulfonyl]-6,7-dimethoxy-1-methyl-3,4-dihydro-1H-isoquinoline IUPAC Name: (1R)-2-[(5-chloro-3-methyl-1-benzothiophen-2-yl)sulfonyl]-6,7-dimethoxy-1-methyl-3,4-dihydro-1H-isoquinoline Traditional Name: (1R)-2-(5-chloro-3-methyl-benzothiophen-2-yl)sulfonyl-6,7-dimethoxy-1-methyl-3,4-dihydro-1H-isoquinoline Formula: C21H22ClNO4S2 MolecularWeight: 451.98668

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1C2=CC(=C(C=C2CCN1S(=O)(=O)C3=C(C4=C(S3)C=CC(=C4)Cl)C)OC)OC

Isomeric SMILES

C[C@@H]1C2=CC(=C(C=C2CCN1S(=O)(=O)C3=C(C4=C(S3)C=CC(=C4)Cl)C)OC)OC

InChI

InChI=1S/C21H22ClNO4S2/c1-12-16-10-15(22)5-6-20(16)28-21(12)29(24,25)23-8-7-14-9-18(26-3)19(27-4)11-17(14)13(23)2/h5-6,9-11,13H,7-8H2,1-4H3/t13-/m1/s1