2-(4-fluorophenyl)sulfonyl-N-(3-methylsulfanylpropyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide

Systemtic Name: 2-(4-fluorophenyl)sulfonyl-N-(3-methylsulfanylpropyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide Openeye Name: 2-(4-fluorophenyl)sulfonyl-N-(3-methylsulfanylpropyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide CAS Name: 2-(4-fluorophenyl)sulfonyl-N-[3-(methylthio)propyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide IUPAC Name: 2-(4-fluorophenyl)sulfonyl-N-(3-methylsulfanylpropyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide Traditional Name: 2-(4-fluorophenyl)sulfonyl-N-[3-(methylthio)propyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide Formula: C20H23FN2O3S2 MolecularWeight: 422.536623

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSCCCNC(=O)C1CC2=CC=CC=C2CN1S(=O)(=O)C3=CC=C(C=C3)F

Isomeric SMILES

CSCCCNC(=O)C1CC2=CC=CC=C2CN1S(=O)(=O)C3=CC=C(C=C3)F

InChI

InChI=1S/C20H23FN2O3S2/c1-27-12-4-11-22-20(24)19-13-15-5-2-3-6-16(15)14-23(19)28(25,26)18-9-7-17(21)8-10-18/h2-3,5-10,19H,4,11-14H2,1H3,(H,22,24)