2-[(4-methoxyphenyl)methyl]-3-(4-methylsulfonylphenyl)-5-(trifluoromethyl)pyridine

Systemtic Name: 2-[(4-methoxyphenyl)methyl]-3-(4-methylsulfonylphenyl)-5-(trifluoromethyl)pyridine Openeye Name: 2-[(4-methoxyphenyl)methyl]-3-(4-methylsulfonylphenyl)-5-(trifluoromethyl)pyridine CAS Name: 2-[(4-methoxyphenyl)methyl]-3-(4-methylsulfonylphenyl)-5-(trifluoromethyl)pyridine IUPAC Name: 2-[(4-methoxyphenyl)methyl]-3-(4-methylsulfonylphenyl)-5-(trifluoromethyl)pyridine Traditional Name: 3-(4-mesylphenyl)-2-p-anisyl-5-(trifluoromethyl)pyridine Formula: C21H18F3NO3S MolecularWeight: 421.43273

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CC2=NC=C(C=C2C3=CC=C(C=C3)S(=O)(=O)C)C(F)(F)F

Isomeric SMILES

COC1=CC=C(C=C1)CC2=NC=C(C=C2C3=CC=C(C=C3)S(=O)(=O)C)C(F)(F)F

InChI

InChI=1S/C21H18F3NO3S/c1-28-17-7-3-14(4-8-17)11-20-19(12-16(13-25-20)21(22,23)24)15-5-9-18(10-6-15)29(2,26)27/h3-10,12-13H,11H2,1-2H3