4-nitro-N-[1-[2,2,2-tris(fluoranyl)ethoxymethyl]pyrazol-4-yl]benzenesulfonamide

Systemtic Name: 4-nitro-N-[1-[2,2,2-tris(fluoranyl)ethoxymethyl]pyrazol-4-yl]benzenesulfonamide Openeye Name: 4-nitro-N-[1-(2,2,2-trifluoroethoxymethyl)pyrazol-4-yl]benzenesulfonamide CAS Name: 4-nitro-N-[1-(2,2,2-trifluoroethoxymethyl)-4-pyrazolyl]benzenesulfonamide IUPAC Name: 4-nitro-N-[1-(2,2,2-trifluoroethoxymethyl)pyrazol-4-yl]benzenesulfonamide Traditional Name: 4-nitro-N-[1-(2,2,2-trifluoroethoxymethyl)pyrazol-4-yl]benzenesulfonamide Formula: C12H11F3N4O5S MolecularWeight: 380.29975

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1[N+](=O)[O-])S(=O)(=O)NC2=CN(N=C2)COCC(F)(F)F

Isomeric SMILES

C1=CC(=CC=C1[N+](=O)[O-])S(=O)(=O)NC2=CN(N=C2)COCC(F)(F)F

InChI

InChI=1S/C12H11F3N4O5S/c13-12(14,15)7-24-8-18-6-9(5-16-18)17-25(22,23)11-3-1-10(2-4-11)19(20)21/h1-6,17H,7-8H2