3-nitro-4-oxidanyl-N-[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]benzenesulfonamide

Systemtic Name: 3-nitro-4-oxidanyl-N-[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]benzenesulfonamide Openeye Name: 4-hydroxy-3-nitro-N-[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]benzenesulfonamide CAS Name: 4-hydroxy-3-nitro-N-[2-(1-pyrazolyl)-5-(trifluoromethyl)phenyl]benzenesulfonamide IUPAC Name: 4-hydroxy-3-nitro-N-[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]benzenesulfonamide Traditional Name: 4-hydroxy-3-nitro-N-[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]benzenesulfonamide Formula: C16H11F3N4O5S MolecularWeight: 428.34255

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Descriptors Computed from Structure

Canonical SMILES:

C1=CN(N=C1)C2=C(C=C(C=C2)C(F)(F)F)NS(=O)(=O)C3=CC(=C(C=C3)O)[N+](=O)[O-]

Isomeric SMILES

C1=CN(N=C1)C2=C(C=C(C=C2)C(F)(F)F)NS(=O)(=O)C3=CC(=C(C=C3)O)[N+](=O)[O-]

InChI

InChI=1S/C16H11F3N4O5S/c17-16(18,19)10-2-4-13(22-7-1-6-20-22)12(8-10)21-29(27,28)11-3-5-15(24)14(9-11)23(25)26/h1-9,21,24H