3-[3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-4-ethyl-phenyl]-5-(trifluoromethyl)-1,2-oxazole

Systemtic Name: 3-[3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-4-ethyl-phenyl]-5-(trifluoromethyl)-1,2-oxazole Openeye Name: 3-[3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-4-ethyl-phenyl]-5-(trifluoromethyl)isoxazole CAS Name: 3-[3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-4-ethylphenyl]-5-(trifluoromethyl)isoxazole IUPAC Name: 3-[3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-4-ethylphenyl]-5-(trifluoromethyl)-1,2-oxazole Traditional Name: 3-[3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-4-ethyl-phenyl]-5-(trifluoromethyl)isoxazole Formula: C21H19F3N2O3S MolecularWeight: 436.44737

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C(C=C1)C2=NOC(=C2)C(F)(F)F)S(=O)(=O)N3CCC4=CC=CC=C4C3

Isomeric SMILES

CCC1=C(C=C(C=C1)C2=NOC(=C2)C(F)(F)F)S(=O)(=O)N3CCC4=CC=CC=C4C3

InChI

InChI=1S/C21H19F3N2O3S/c1-2-14-7-8-16(18-12-20(29-25-18)21(22,23)24)11-19(14)30(27,28)26-10-9-15-5-3-4-6-17(15)13-26/h3-8,11-12H,2,9-10,13H2,1H3