4-(4,5-dihydro-1,2-oxazol-5-yl)-2-methyl-3-(4-methylsulfonylphenyl)-5-(trifluoromethyl)aniline

Systemtic Name: 4-(4,5-dihydro-1,2-oxazol-5-yl)-2-methyl-3-(4-methylsulfonylphenyl)-5-(trifluoromethyl)aniline Openeye Name: 4-(4,5-dihydroisoxazol-5-yl)-2-methyl-3-(4-methylsulfonylphenyl)-5-(trifluoromethyl)aniline CAS Name: 4-(4,5-dihydroisoxazol-5-yl)-2-methyl-3-(4-methylsulfonylphenyl)-5-(trifluoromethyl)aniline IUPAC Name: 4-(4,5-dihydro-1,2-oxazol-5-yl)-2-methyl-3-(4-methylsulfonylphenyl)-5-(trifluoromethyl)aniline Traditional Name: [4-(2-isoxazolin-5-yl)-3-(4-mesylphenyl)-2-methyl-5-(trifluoromethyl)phenyl]amine Formula: C18H17F3N2O3S MolecularWeight: 398.39939

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C(=C1C2=CC=C(C=C2)S(=O)(=O)C)C3CC=NO3)C(F)(F)F)N

Isomeric SMILES

CC1=C(C=C(C(=C1C2=CC=C(C=C2)S(=O)(=O)C)C3CC=NO3)C(F)(F)F)N

InChI

InChI=1S/C18H17F3N2O3S/c1-10-14(22)9-13(18(19,20)21)17(15-7-8-23-26-15)16(10)11-3-5-12(6-4-11)27(2,24)25/h3-6,8-9,15H,7,22H2,1-2H3