5-(4-methyl-3-nitro-phenyl)-2-pyrazol-1-yl-3-(trifluoromethyl)benzenesulfonamide

Systemtic Name: 5-(4-methyl-3-nitro-phenyl)-2-pyrazol-1-yl-3-(trifluoromethyl)benzenesulfonamide Openeye Name: 5-(4-methyl-3-nitro-phenyl)-2-pyrazol-1-yl-3-(trifluoromethyl)benzenesulfonamide CAS Name: 5-(4-methyl-3-nitrophenyl)-2-(1-pyrazolyl)-3-(trifluoromethyl)benzenesulfonamide IUPAC Name: 5-(4-methyl-3-nitrophenyl)-2-pyrazol-1-yl-3-(trifluoromethyl)benzenesulfonamide Traditional Name: 5-(4-methyl-3-nitro-phenyl)-2-pyrazol-1-yl-3-(trifluoromethyl)benzenesulfonamide Formula: C17H13F3N4O4S MolecularWeight: 426.36973

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2=CC(=C(C(=C2)S(=O)(=O)N)N3C=CC=N3)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)C2=CC(=C(C(=C2)S(=O)(=O)N)N3C=CC=N3)C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C17H13F3N4O4S/c1-10-3-4-11(8-14(10)24(25)26)12-7-13(17(18,19)20)16(23-6-2-5-22-23)15(9-12)29(21,27)28/h2-9H,1H3,(H2,21,27,28)