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

Systemtic Name: 2-(4-bromophenyl)sulfonyl-6,7-diethoxy-1-methyl-3,4-dihydro-1H-isoquinoline Openeye Name: 2-(4-bromophenyl)sulfonyl-6,7-diethoxy-1-methyl-3,4-dihydro-1H-isoquinoline CAS Name: 2-(4-bromophenyl)sulfonyl-6,7-diethoxy-1-methyl-3,4-dihydro-1H-isoquinoline IUPAC Name: 2-(4-bromophenyl)sulfonyl-6,7-diethoxy-1-methyl-3,4-dihydro-1H-isoquinoline Traditional Name: 2-brosyl-6,7-diethoxy-1-methyl-3,4-dihydro-1H-isoquinoline Formula: C20H24BrNO4S MolecularWeight: 454.37786

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H24BrNO4S/c1-4-25-19-12-15-10-11-22(14(3)18(15)13-20(19)26-5-2)27(23,24)17-8-6-16(21)7-9-17/h6-9,12-14H,4-5,10-11H2,1-3H3