2,3-dimethyl-5-nitro-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]benzenesulfonamide

Systemtic Name: 2,3-dimethyl-5-nitro-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]benzenesulfonamide Openeye Name: 2,3-dimethyl-5-nitro-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]benzenesulfonamide CAS Name: 2,3-dimethyl-5-nitro-N-[[2-(1-pyrazolylmethyl)phenyl]methyl]benzenesulfonamide IUPAC Name: 2,3-dimethyl-5-nitro-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]benzenesulfonamide Traditional Name: 2,3-dimethyl-5-nitro-N-[2-(pyrazol-1-ylmethyl)benzyl]benzenesulfonamide Formula: C19H20N4O4S MolecularWeight: 400.4515

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1C)S(=O)(=O)NCC2=CC=CC=C2CN3C=CC=N3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=CC(=C1C)S(=O)(=O)NCC2=CC=CC=C2CN3C=CC=N3)[N+](=O)[O-]

InChI

InChI=1S/C19H20N4O4S/c1-14-10-18(23(24)25)11-19(15(14)2)28(26,27)21-12-16-6-3-4-7-17(16)13-22-9-5-8-20-22/h3-11,21H,12-13H2,1-2H3