N-[[3,5-dimethyl-1-(phenylmethyl)pyrazol-4-yl]methyl]-4-nitro-benzenesulfonamide

Systemtic Name: N-[[3,5-dimethyl-1-(phenylmethyl)pyrazol-4-yl]methyl]-4-nitro-benzenesulfonamide Openeye Name: N-[(1-benzyl-3,5-dimethyl-pyrazol-4-yl)methyl]-4-nitro-benzenesulfonamide CAS Name: N-[[3,5-dimethyl-1-(phenylmethyl)-4-pyrazolyl]methyl]-4-nitrobenzenesulfonamide IUPAC Name: N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-4-nitrobenzenesulfonamide Traditional Name: N-[(1-benzyl-3,5-dimethyl-pyrazol-4-yl)methyl]-4-nitro-benzenesulfonamide Formula: C19H20N4O4S MolecularWeight: 400.4515

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC2=CC=CC=C2)C)CNS(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1CC2=CC=CC=C2)C)CNS(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

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