6,7-diethoxy-2-(5-fluoranyl-2-methyl-phenyl)sulfonyl-1-methyl-3,4-dihydro-1H-isoquinoline

Systemtic Name: 6,7-diethoxy-2-(5-fluoranyl-2-methyl-phenyl)sulfonyl-1-methyl-3,4-dihydro-1H-isoquinoline Openeye Name: 6,7-diethoxy-2-(5-fluoro-2-methyl-phenyl)sulfonyl-1-methyl-3,4-dihydro-1H-isoquinoline CAS Name: 6,7-diethoxy-2-(5-fluoro-2-methylphenyl)sulfonyl-1-methyl-3,4-dihydro-1H-isoquinoline IUPAC Name: 6,7-diethoxy-2-(5-fluoro-2-methylphenyl)sulfonyl-1-methyl-3,4-dihydro-1H-isoquinoline Traditional Name: 6,7-diethoxy-2-(5-fluoro-2-methyl-phenyl)sulfonyl-1-methyl-3,4-dihydro-1H-isoquinoline Formula: C21H26FNO4S MolecularWeight: 407.498843

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C2C(N(CCC2=C1)S(=O)(=O)C3=C(C=CC(=C3)F)C)C)OCC

Isomeric SMILES

CCOC1=C(C=C2C(N(CCC2=C1)S(=O)(=O)C3=C(C=CC(=C3)F)C)C)OCC

InChI

InChI=1S/C21H26FNO4S/c1-5-26-19-11-16-9-10-23(15(4)18(16)13-20(19)27-6-2)28(24,25)21-12-17(22)8-7-14(21)3/h7-8,11-13,15H,5-6,9-10H2,1-4H3