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

Systemtic Name: 3-[3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-4-methyl-phenyl]-5-(trifluoromethyl)-1,2-oxazole Openeye Name: 3-[3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-4-methyl-phenyl]-5-(trifluoromethyl)isoxazole CAS Name: 3-[3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-4-methylphenyl]-5-(trifluoromethyl)isoxazole IUPAC Name: 3-[3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-4-methylphenyl]-5-(trifluoromethyl)-1,2-oxazole Traditional Name: 3-[3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-4-methyl-phenyl]-5-(trifluoromethyl)isoxazole Formula: C20H17F3N2O3S MolecularWeight: 422.42079

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2=NOC(=C2)C(F)(F)F)S(=O)(=O)N3CCC4=CC=CC=C4C3

Isomeric SMILES

CC1=C(C=C(C=C1)C2=NOC(=C2)C(F)(F)F)S(=O)(=O)N3CCC4=CC=CC=C4C3

InChI

InChI=1S/C20H17F3N2O3S/c1-13-6-7-15(17-11-19(28-24-17)20(21,22)23)10-18(13)29(26,27)25-9-8-14-4-2-3-5-16(14)12-25/h2-7,10-11H,8-9,12H2,1H3