2-ethylsulfonyl-N-[4-(trifluoromethyloxy)phenyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide

Systemtic Name: 2-ethylsulfonyl-N-[4-(trifluoromethyloxy)phenyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide Openeye Name: 2-ethylsulfonyl-N-[4-(trifluoromethoxy)phenyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide CAS Name: 2-ethylsulfonyl-N-[4-(trifluoromethoxy)phenyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide IUPAC Name: 2-ethylsulfonyl-N-[4-(trifluoromethoxy)phenyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide Traditional Name: 2-esyl-N-[4-(trifluoromethoxy)phenyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide Formula: C19H19F3N2O4S MolecularWeight: 428.42537

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)N1CC2=CC=CC=C2CC1C(=O)NC3=CC=C(C=C3)OC(F)(F)F

Isomeric SMILES

CCS(=O)(=O)N1CC2=CC=CC=C2CC1C(=O)NC3=CC=C(C=C3)OC(F)(F)F

InChI

InChI=1S/C19H19F3N2O4S/c1-2-29(26,27)24-12-14-6-4-3-5-13(14)11-17(24)18(25)23-15-7-9-16(10-8-15)28-19(20,21)22/h3-10,17H,2,11-12H2,1H3,(H,23,25)