2-(4-fluorophenyl)sulfonyl-N-[2-(phenylmethylsulfanyl)ethyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide

Systemtic Name: 2-(4-fluorophenyl)sulfonyl-N-[2-(phenylmethylsulfanyl)ethyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide Openeye Name: N-(2-benzylsulfanylethyl)-2-(4-fluorophenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide CAS Name: 2-(4-fluorophenyl)sulfonyl-N-[2-(phenylmethylthio)ethyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide IUPAC Name: N-(2-benzylsulfanylethyl)-2-(4-fluorophenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Traditional Name: N-[2-(benzylthio)ethyl]-2-(4-fluorophenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Formula: C25H25FN2O3S2 MolecularWeight: 484.606003

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C(N(CC2=CC=CC=C21)S(=O)(=O)C3=CC=C(C=C3)F)C(=O)NCCSCC4=CC=CC=C4

Isomeric SMILES

C1C(N(CC2=CC=CC=C21)S(=O)(=O)C3=CC=C(C=C3)F)C(=O)NCCSCC4=CC=CC=C4

InChI

InChI=1S/C25H25FN2O3S2/c26-22-10-12-23(13-11-22)33(30,31)28-17-21-9-5-4-8-20(21)16-24(28)25(29)27-14-15-32-18-19-6-2-1-3-7-19/h1-13,24H,14-18H2,(H,27,29)