N-(4-methylsulfonyl-2-nitro-phenyl)-N'-[5-(trifluoromethyl)pyridin-2-yl]ethane-1,2-diamine

Systemtic Name: N-(4-methylsulfonyl-2-nitro-phenyl)-N'-[5-(trifluoromethyl)pyridin-2-yl]ethane-1,2-diamine Openeye Name: N-(4-methylsulfonyl-2-nitro-phenyl)-N'-[5-(trifluoromethyl)-2-pyridyl]ethane-1,2-diamine CAS Name: N-(4-methylsulfonyl-2-nitrophenyl)-N'-[5-(trifluoromethyl)-2-pyridinyl]ethane-1,2-diamine IUPAC Name: N-(4-methylsulfonyl-2-nitrophenyl)-N'-[5-(trifluoromethyl)pyridin-2-yl]ethane-1,2-diamine Traditional Name: 2-(4-mesyl-2-nitro-anilino)ethyl-[5-(trifluoromethyl)-2-pyridyl]amine Formula: C15H15F3N4O4S MolecularWeight: 404.36421

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC(=C(C=C1)NCCNC2=NC=C(C=C2)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

CS(=O)(=O)C1=CC(=C(C=C1)NCCNC2=NC=C(C=C2)C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C15H15F3N4O4S/c1-27(25,26)11-3-4-12(13(8-11)22(23)24)19-6-7-20-14-5-2-10(9-21-14)15(16,17)18/h2-5,8-9,19H,6-7H2,1H3,(H,20,21)