2-ethylsulfonyl-N-[(4-fluoranyl-3-methyl-phenyl)methyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide

Systemtic Name: 2-ethylsulfonyl-N-[(4-fluoranyl-3-methyl-phenyl)methyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide Openeye Name: 2-ethylsulfonyl-N-[(4-fluoro-3-methyl-phenyl)methyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide CAS Name: 2-ethylsulfonyl-N-[(4-fluoro-3-methylphenyl)methyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide IUPAC Name: 2-ethylsulfonyl-N-[(4-fluoro-3-methylphenyl)methyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide Traditional Name: 2-esyl-N-(4-fluoro-3-methyl-benzyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide Formula: C20H23FN2O3S MolecularWeight: 390.471623

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)N1CC2=CC=CC=C2CC1C(=O)NCC3=CC(=C(C=C3)F)C

Isomeric SMILES

CCS(=O)(=O)N1CC2=CC=CC=C2CC1C(=O)NCC3=CC(=C(C=C3)F)C

InChI

InChI=1S/C20H23FN2O3S/c1-3-27(25,26)23-13-17-7-5-4-6-16(17)11-19(23)20(24)22-12-15-8-9-18(21)14(2)10-15/h4-10,19H,3,11-13H2,1-2H3,(H,22,24)