N-[5-(4-methyl-3-nitro-phenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide

Systemtic Name: N-[5-(4-methyl-3-nitro-phenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide Openeye Name: N-[5-(4-methyl-3-nitro-phenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide CAS Name: N-[5-(4-methyl-3-nitrophenyl)-3-(trifluoromethyl)-1-pyrazolyl]benzenesulfonamide IUPAC Name: N-[5-(4-methyl-3-nitrophenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide Traditional Name: N-[5-(4-methyl-3-nitro-phenyl)-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=CC(=NN2NS(=O)(=O)C3=CC=CC=C3)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)C2=CC(=NN2NS(=O)(=O)C3=CC=CC=C3)C(F)(F)F)[N+](=O)[O-]

InChI

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