3-nitro-4-[3-[[5-(trifluoromethyl)pyridin-2-yl]amino]propylamino]benzenesulfonamide

Systemtic Name: 3-nitro-4-[3-[[5-(trifluoromethyl)pyridin-2-yl]amino]propylamino]benzenesulfonamide Openeye Name: 3-nitro-4-[3-[[5-(trifluoromethyl)-2-pyridyl]amino]propylamino]benzenesulfonamide CAS Name: 3-nitro-4-[3-[[5-(trifluoromethyl)-2-pyridinyl]amino]propylamino]benzenesulfonamide IUPAC Name: 3-nitro-4-[3-[[5-(trifluoromethyl)pyridin-2-yl]amino]propylamino]benzenesulfonamide Traditional Name: 3-nitro-4-[3-[[5-(trifluoromethyl)-2-pyridyl]amino]propylamino]benzenesulfonamide Formula: C15H16F3N5O4S MolecularWeight: 419.37885

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1S(=O)(=O)N)[N+](=O)[O-])NCCCNC2=NC=C(C=C2)C(F)(F)F

Isomeric SMILES

C1=CC(=C(C=C1S(=O)(=O)N)[N+](=O)[O-])NCCCNC2=NC=C(C=C2)C(F)(F)F

InChI

InChI=1S/C15H16F3N5O4S/c16-15(17,18)10-2-5-14(22-9-10)21-7-1-6-20-12-4-3-11(28(19,26)27)8-13(12)23(24)25/h2-5,8-9,20H,1,6-7H2,(H,21,22)(H2,19,26,27)