N-[(2,3-dimethoxyphenyl)methyl]-N-methylsulfonyl-2-[2-nitro-4-(trifluoromethyl)phenyl]sulfanyl-propanamide

Systemtic Name: N-[(2,3-dimethoxyphenyl)methyl]-N-methylsulfonyl-2-[2-nitro-4-(trifluoromethyl)phenyl]sulfanyl-propanamide Openeye Name: N-[(2,3-dimethoxyphenyl)methyl]-N-methylsulfonyl-2-[2-nitro-4-(trifluoromethyl)phenyl]sulfanyl-propanamide CAS Name: N-[(2,3-dimethoxyphenyl)methyl]-N-methylsulfonyl-2-[[2-nitro-4-(trifluoromethyl)phenyl]thio]propanamide IUPAC Name: N-[(2,3-dimethoxyphenyl)methyl]-N-methylsulfonyl-2-[2-nitro-4-(trifluoromethyl)phenyl]sulfanylpropanamide Traditional Name: N-mesyl-2-[[2-nitro-4-(trifluoromethyl)phenyl]thio]-N-o-veratryl-propionamide Formula: C20H21F3N2O7S2 MolecularWeight: 522.51515

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N(CC1=C(C(=CC=C1)OC)OC)S(=O)(=O)C)SC2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

CC(C(=O)N(CC1=C(C(=CC=C1)OC)OC)S(=O)(=O)C)SC2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C20H21F3N2O7S2/c1-12(33-17-9-8-14(20(21,22)23)10-15(17)25(27)28)19(26)24(34(4,29)30)11-13-6-5-7-16(31-2)18(13)32-3/h5-10,12H,11H2,1-4H3