N-(2-ethylsulfanylethyl)-2-[4-(trifluoromethyl)phenyl]sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide

Systemtic Name: N-(2-ethylsulfanylethyl)-2-[4-(trifluoromethyl)phenyl]sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Openeye Name: N-(2-ethylsulfanylethyl)-2-[4-(trifluoromethyl)phenyl]sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide CAS Name: N-[2-(ethylthio)ethyl]-2-[4-(trifluoromethyl)phenyl]sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide IUPAC Name: N-(2-ethylsulfanylethyl)-2-[4-(trifluoromethyl)phenyl]sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Traditional Name: N-[2-(ethylthio)ethyl]-2-[4-(trifluoromethyl)phenyl]sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Formula: C21H23F3N2O3S2 MolecularWeight: 472.54413

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23F3N2O3S2/c1-2-30-12-11-25-20(27)19-13-15-5-3-4-6-16(15)14-26(19)31(28,29)18-9-7-17(8-10-18)21(22,23)24/h3-10,19H,2,11-14H2,1H3,(H,25,27)