(1R,3S,4R)-4-bromanyl-3-methoxy-2-methylsulfonyl-3,4-dihydro-1H-isoquinoline-1-carbonitrile

Systemtic Name: (1R,3S,4R)-4-bromanyl-3-methoxy-2-methylsulfonyl-3,4-dihydro-1H-isoquinoline-1-carbonitrile Openeye Name: (1R,3S,4R)-4-bromo-3-methoxy-2-methylsulfonyl-3,4-dihydro-1H-isoquinoline-1-carbonitrile CAS Name: (1R,3S,4R)-4-bromo-3-methoxy-2-methylsulfonyl-3,4-dihydro-1H-isoquinoline-1-carbonitrile IUPAC Name: (1R,3S,4R)-4-bromo-3-methoxy-2-methylsulfonyl-3,4-dihydro-1H-isoquinoline-1-carbonitrile Traditional Name: (1R,3S,4R)-4-bromo-2-mesyl-3-methoxy-3,4-dihydro-1H-isoquinoline-1-carbonitrile Formula: C12H13BrN2O3S MolecularWeight: 345.21222

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1C(C2=CC=CC=C2C(N1S(=O)(=O)C)C#N)Br

Isomeric SMILES

CO[C@H]1[C@@H](C2=CC=CC=C2[C@@H](N1S(=O)(=O)C)C#N)Br

InChI

InChI=1S/C12H13BrN2O3S/c1-18-12-11(13)9-6-4-3-5-8(9)10(7-14)15(12)19(2,16)17/h3-6,10-12H,1-2H3/t10-,11+,12-/m0/s1