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

Systemtic Name: 3-methylsulfonyl-N-[3-(trifluoromethyl)phenyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide Openeye Name: 3-methylsulfonyl-N-[3-(trifluoromethyl)phenyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide CAS Name: 3-methylsulfonyl-N-[3-(trifluoromethyl)phenyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide IUPAC Name: 3-methylsulfonyl-N-[3-(trifluoromethyl)phenyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide Traditional Name: 3-mesyl-N-[3-(trifluoromethyl)phenyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide Formula: C18H17F3N2O3S MolecularWeight: 398.39939

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1CC2=CC=CC=C2CN1C(=O)NC3=CC=CC(=C3)C(F)(F)F

Isomeric SMILES

CS(=O)(=O)C1CC2=CC=CC=C2CN1C(=O)NC3=CC=CC(=C3)C(F)(F)F

InChI

InChI=1S/C18H17F3N2O3S/c1-27(25,26)16-9-12-5-2-3-6-13(12)11-23(16)17(24)22-15-8-4-7-14(10-15)18(19,20)21/h2-8,10,16H,9,11H2,1H3,(H,22,24)