N-[3-[4,5-bis(trifluoromethyl)pyridin-2-yl]oxypropyl]-2-chloranyl-5-nitro-benzenesulfonamide

Systemtic Name: N-[3-[4,5-bis(trifluoromethyl)pyridin-2-yl]oxypropyl]-2-chloranyl-5-nitro-benzenesulfonamide Openeye Name: N-[3-[[4,5-bis(trifluoromethyl)-2-pyridyl]oxy]propyl]-2-chloro-5-nitro-benzenesulfonamide CAS Name: N-[3-[[4,5-bis(trifluoromethyl)-2-pyridinyl]oxy]propyl]-2-chloro-5-nitrobenzenesulfonamide IUPAC Name: N-[3-[4,5-bis(trifluoromethyl)pyridin-2-yl]oxypropyl]-2-chloro-5-nitrobenzenesulfonamide Traditional Name: N-[3-[[4,5-bis(trifluoromethyl)-2-pyridyl]oxy]propyl]-2-chloro-5-nitro-benzenesulfonamide Formula: C16H12ClF6N3O5S MolecularWeight: 507.791999

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1[N+](=O)[O-])S(=O)(=O)NCCCOC2=NC=C(C(=C2)C(F)(F)F)C(F)(F)F)Cl

Isomeric SMILES

C1=CC(=C(C=C1[N+](=O)[O-])S(=O)(=O)NCCCOC2=NC=C(C(=C2)C(F)(F)F)C(F)(F)F)Cl

InChI

InChI=1S/C16H12ClF6N3O5S/c17-12-3-2-9(26(27)28)6-13(12)32(29,30)25-4-1-5-31-14-7-10(15(18,19)20)11(8-24-14)16(21,22)23/h2-3,6-8,25H,1,4-5H2