4-(4-methyl-3-nitro-phenyl)-3-[3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide

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

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

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