3-nitro-N-propan-2-yl-4-[5-(trifluoromethyl)pyridin-2-yl]sulfanyl-benzenesulfonamide

Systemtic Name: 3-nitro-N-propan-2-yl-4-[5-(trifluoromethyl)pyridin-2-yl]sulfanyl-benzenesulfonamide Openeye Name: N-isopropyl-3-nitro-4-[[5-(trifluoromethyl)-2-pyridyl]sulfanyl]benzenesulfonamide CAS Name: 3-nitro-N-propan-2-yl-4-[[5-(trifluoromethyl)-2-pyridinyl]thio]benzenesulfonamide IUPAC Name: 3-nitro-N-propan-2-yl-4-[5-(trifluoromethyl)pyridin-2-yl]sulfanylbenzenesulfonamide Traditional Name: N-isopropyl-3-nitro-4-[[5-(trifluoromethyl)-2-pyridyl]thio]benzenesulfonamide Formula: C15H14F3N3O4S2 MolecularWeight: 421.41457

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NS(=O)(=O)C1=CC(=C(C=C1)SC2=NC=C(C=C2)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

CC(C)NS(=O)(=O)C1=CC(=C(C=C1)SC2=NC=C(C=C2)C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C15H14F3N3O4S2/c1-9(2)20-27(24,25)11-4-5-13(12(7-11)21(22)23)26-14-6-3-10(8-19-14)15(16,17)18/h3-9,20H,1-2H3