N-[2-[(5-nitropyridin-2-yl)amino]ethyl]-3,5-bis(trifluoromethyl)benzenesulfonamide

Systemtic Name: N-[2-[(5-nitropyridin-2-yl)amino]ethyl]-3,5-bis(trifluoromethyl)benzenesulfonamide Openeye Name: N-[2-[(5-nitro-2-pyridyl)amino]ethyl]-3,5-bis(trifluoromethyl)benzenesulfonamide CAS Name: N-[2-[(5-nitro-2-pyridinyl)amino]ethyl]-3,5-bis(trifluoromethyl)benzenesulfonamide IUPAC Name: N-[2-[(5-nitropyridin-2-yl)amino]ethyl]-3,5-bis(trifluoromethyl)benzenesulfonamide Traditional Name: N-[2-[(5-nitro-2-pyridyl)amino]ethyl]-3,5-bis(trifluoromethyl)benzenesulfonamide Formula: C15H12F6N4O4S MolecularWeight: 458.335599

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H12F6N4O4S/c16-14(17,18)9-5-10(15(19,20)21)7-12(6-9)30(28,29)24-4-3-22-13-2-1-11(8-23-13)25(26)27/h1-2,5-8,24H,3-4H2,(H,22,23)