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

Systemtic Name: 2-(4-fluorophenyl)sulfonyl-N-[2-(furan-2-ylmethylsulfanyl)ethyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide Openeye Name: 2-(4-fluorophenyl)sulfonyl-N-[2-(2-furylmethylsulfanyl)ethyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide CAS Name: 2-(4-fluorophenyl)sulfonyl-N-[2-(2-furanylmethylthio)ethyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide IUPAC Name: 2-(4-fluorophenyl)sulfonyl-N-[2-(furan-2-ylmethylsulfanyl)ethyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide Traditional Name: 2-(4-fluorophenyl)sulfonyl-N-[2-(2-furfurylthio)ethyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide Formula: C23H23FN2O4S2 MolecularWeight: 474.568123

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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=CO4

Isomeric SMILES

C1C(N(CC2=CC=CC=C21)S(=O)(=O)C3=CC=C(C=C3)F)C(=O)NCCSCC4=CC=CO4

InChI

InChI=1S/C23H23FN2O4S2/c24-19-7-9-21(10-8-19)32(28,29)26-15-18-5-2-1-4-17(18)14-22(26)23(27)25-11-13-31-16-20-6-3-12-30-20/h1-10,12,22H,11,13-16H2,(H,25,27)