4-[3-(6-nitro-1H-indol-3-yl)-5-(trifluoromethyl)-3,4-dihydropyrazol-2-yl]benzenesulfonamide

Systemtic Name: 4-[3-(6-nitro-1H-indol-3-yl)-5-(trifluoromethyl)-3,4-dihydropyrazol-2-yl]benzenesulfonamide Openeye Name: 4-[3-(6-nitro-1H-indol-3-yl)-5-(trifluoromethyl)-3,4-dihydropyrazol-2-yl]benzenesulfonamide CAS Name: 4-[3-(6-nitro-1H-indol-3-yl)-5-(trifluoromethyl)-3,4-dihydropyrazol-2-yl]benzenesulfonamide IUPAC Name: 4-[3-(6-nitro-1H-indol-3-yl)-5-(trifluoromethyl)-3,4-dihydropyrazol-2-yl]benzenesulfonamide Traditional Name: 4-[5-(6-nitro-1H-indol-3-yl)-3-(trifluoromethyl)-2-pyrazolin-1-yl]benzenesulfonamide Formula: C18H14F3N5O4S MolecularWeight: 453.39507

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Descriptors Computed from Structure

Canonical SMILES:

C1C(N(N=C1C(F)(F)F)C2=CC=C(C=C2)S(=O)(=O)N)C3=CNC4=C3C=CC(=C4)[N+](=O)[O-]

Isomeric SMILES

C1C(N(N=C1C(F)(F)F)C2=CC=C(C=C2)S(=O)(=O)N)C3=CNC4=C3C=CC(=C4)[N+](=O)[O-]

InChI

InChI=1S/C18H14F3N5O4S/c19-18(20,21)17-8-16(14-9-23-15-7-11(26(27)28)3-6-13(14)15)25(24-17)10-1-4-12(5-2-10)31(22,29)30/h1-7,9,16,23H,8H2,(H2,22,29,30)