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

Systemtic Name: 3-cyano-N-[[3,5-dimethyl-1-(phenylmethyl)pyrazol-4-yl]methyl]benzenesulfonamide Openeye Name: N-[(1-benzyl-3,5-dimethyl-pyrazol-4-yl)methyl]-3-cyano-benzenesulfonamide CAS Name: 3-cyano-N-[[3,5-dimethyl-1-(phenylmethyl)-4-pyrazolyl]methyl]benzenesulfonamide IUPAC Name: N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-3-cyanobenzenesulfonamide Traditional Name: N-[(1-benzyl-3,5-dimethyl-pyrazol-4-yl)methyl]-3-cyano-benzenesulfonamide Formula: C20H20N4O2S MolecularWeight: 380.4634

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC2=CC=CC=C2)C)CNS(=O)(=O)C3=CC=CC(=C3)C#N

Isomeric SMILES

CC1=C(C(=NN1CC2=CC=CC=C2)C)CNS(=O)(=O)C3=CC=CC(=C3)C#N

InChI

InChI=1S/C20H20N4O2S/c1-15-20(16(2)24(23-15)14-17-7-4-3-5-8-17)13-22-27(25,26)19-10-6-9-18(11-19)12-21/h3-11,22H,13-14H2,1-2H3