N-(4-methylsulfonyl-2-nitro-phenyl)-N'-[5-(trifluoromethyl)pyridin-2-yl]propane-1,3-diamine

Systemtic Name: N-(4-methylsulfonyl-2-nitro-phenyl)-N'-[5-(trifluoromethyl)pyridin-2-yl]propane-1,3-diamine Openeye Name: N-(4-methylsulfonyl-2-nitro-phenyl)-N'-[5-(trifluoromethyl)-2-pyridyl]propane-1,3-diamine CAS Name: N-(4-methylsulfonyl-2-nitrophenyl)-N'-[5-(trifluoromethyl)-2-pyridinyl]propane-1,3-diamine IUPAC Name: N-(4-methylsulfonyl-2-nitrophenyl)-N'-[5-(trifluoromethyl)pyridin-2-yl]propane-1,3-diamine Traditional Name: 3-(4-mesyl-2-nitro-anilino)propyl-[5-(trifluoromethyl)-2-pyridyl]amine Formula: C16H17F3N4O4S MolecularWeight: 418.39079

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC(=C(C=C1)NCCCNC2=NC=C(C=C2)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

CS(=O)(=O)C1=CC(=C(C=C1)NCCCNC2=NC=C(C=C2)C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C16H17F3N4O4S/c1-28(26,27)12-4-5-13(14(9-12)23(24)25)20-7-2-8-21-15-6-3-11(10-22-15)16(17,18)19/h3-6,9-10,20H,2,7-8H2,1H3,(H,21,22)