4-[4-methyl-5-(3-nitrophenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(N=C1C(F)(F)F)C2=CC=C(C=C2)S(=O)(=O)N)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=C(N(N=C1C(F)(F)F)C2=CC=C(C=C2)S(=O)(=O)N)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

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