2-[[1-ethylsulfonyl-4-[3-(trifluoromethyl)phenyl]pyrrolidin-3-yl]methyl]-3,4-dihydro-1H-isoquinoline

Systemtic Name: 2-[[1-ethylsulfonyl-4-[3-(trifluoromethyl)phenyl]pyrrolidin-3-yl]methyl]-3,4-dihydro-1H-isoquinoline Openeye Name: 2-[[1-ethylsulfonyl-4-[3-(trifluoromethyl)phenyl]pyrrolidin-3-yl]methyl]-3,4-dihydro-1H-isoquinoline CAS Name: 2-[[1-ethylsulfonyl-4-[3-(trifluoromethyl)phenyl]-3-pyrrolidinyl]methyl]-3,4-dihydro-1H-isoquinoline IUPAC Name: 2-[[1-ethylsulfonyl-4-[3-(trifluoromethyl)phenyl]pyrrolidin-3-yl]methyl]-3,4-dihydro-1H-isoquinoline Traditional Name: 2-[[1-esyl-4-[3-(trifluoromethyl)phenyl]pyrrolidin-3-yl]methyl]-3,4-dihydro-1H-isoquinoline Formula: C23H27F3N2O2S MolecularWeight: 452.53289

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)N1CC(C(C1)C2=CC(=CC=C2)C(F)(F)F)CN3CCC4=CC=CC=C4C3

Isomeric SMILES

CCS(=O)(=O)N1CC(C(C1)C2=CC(=CC=C2)C(F)(F)F)CN3CCC4=CC=CC=C4C3

InChI

InChI=1S/C23H27F3N2O2S/c1-2-31(29,30)28-15-20(14-27-11-10-17-6-3-4-7-19(17)13-27)22(16-28)18-8-5-9-21(12-18)23(24,25)26/h3-9,12,20,22H,2,10-11,13-16H2,1H3