7-ethylsulfonyl-3-(fluoranylmethyl)-1,2,3,4-tetrahydroisoquinoline

Systemtic Name: 7-ethylsulfonyl-3-(fluoranylmethyl)-1,2,3,4-tetrahydroisoquinoline Openeye Name: 7-ethylsulfonyl-3-(fluoromethyl)-1,2,3,4-tetrahydroisoquinoline CAS Name: 7-ethylsulfonyl-3-(fluoromethyl)-1,2,3,4-tetrahydroisoquinoline IUPAC Name: 7-ethylsulfonyl-3-(fluoromethyl)-1,2,3,4-tetrahydroisoquinoline Traditional Name: 7-esyl-3-(fluoromethyl)-1,2,3,4-tetrahydroisoquinoline Formula: C12H16FNO2S MolecularWeight: 257.324343

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)C1=CC2=C(CC(NC2)CF)C=C1

Isomeric SMILES

CCS(=O)(=O)C1=CC2=C(CC(NC2)CF)C=C1

InChI

InChI=1S/C12H16FNO2S/c1-2-17(15,16)12-4-3-9-5-11(7-13)14-8-10(9)6-12/h3-4,6,11,14H,2,5,7-8H2,1H3