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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)NC2=C(C=CC(=C2)C(F)(F)F)N3C=CC=N3)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)NC2=C(C=CC(=C2)C(F)(F)F)N3C=CC=N3)[N+](=O)[O-]

InChI

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