(4-hydroxyphenyl)-[6-oxidanyl-3-[7-[4,4,5,5,5-pentakis(fluoranyl)pentylsulfinyl]heptoxymethyl]-3,4-dihydro-1H-isoquinolin-2-yl]methanone

Systemtic Name: (4-hydroxyphenyl)-[6-oxidanyl-3-[7-[4,4,5,5,5-pentakis(fluoranyl)pentylsulfinyl]heptoxymethyl]-3,4-dihydro-1H-isoquinolin-2-yl]methanone Openeye Name: [6-hydroxy-3-[7-(4,4,5,5,5-pentafluoropentylsulfinyl)heptoxymethyl]-3,4-dihydro-1H-isoquinolin-2-yl]-(4-hydroxyphenyl)methanone CAS Name: [6-hydroxy-3-[7-(4,4,5,5,5-pentafluoropentylsulfinyl)heptoxymethyl]-3,4-dihydro-1H-isoquinolin-2-yl]-(4-hydroxyphenyl)methanone IUPAC Name: [6-hydroxy-3-[7-(4,4,5,5,5-pentafluoropentylsulfinyl)heptoxymethyl]-3,4-dihydro-1H-isoquinolin-2-yl]-(4-hydroxyphenyl)methanone Traditional Name: [6-hydroxy-3-[7-(4,4,5,5,5-pentafluoropentylsulfinyl)heptoxymethyl]-3,4-dihydro-1H-isoquinolin-2-yl]-(4-hydroxyphenyl)methanone Formula: C29H36F5NO5S MolecularWeight: 605.656856

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Descriptors Computed from Structure

Canonical SMILES:

C1C(N(CC2=C1C=C(C=C2)O)C(=O)C3=CC=C(C=C3)O)COCCCCCCCS(=O)CCCC(C(F)(F)F)(F)F

Isomeric SMILES

C1C(N(CC2=C1C=C(C=C2)O)C(=O)C3=CC=C(C=C3)O)COCCCCCCCS(=O)CCCC(C(F)(F)F)(F)F

InChI

InChI=1S/C29H36F5NO5S/c30-28(31,29(32,33)34)13-6-16-41(39)15-5-3-1-2-4-14-40-20-24-17-23-18-26(37)12-9-22(23)19-35(24)27(38)21-7-10-25(36)11-8-21/h7-12,18,24,36-37H,1-6,13-17,19-20H2