N-[[3,5-dimethyl-1-(phenylmethyl)pyrazol-4-yl]methyl]-4-propan-2-yl-benzenesulfonamide

Systemtic Name: N-[[3,5-dimethyl-1-(phenylmethyl)pyrazol-4-yl]methyl]-4-propan-2-yl-benzenesulfonamide Openeye Name: N-[(1-benzyl-3,5-dimethyl-pyrazol-4-yl)methyl]-4-isopropyl-benzenesulfonamide CAS Name: N-[[3,5-dimethyl-1-(phenylmethyl)-4-pyrazolyl]methyl]-4-propan-2-ylbenzenesulfonamide IUPAC Name: N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-4-propan-2-ylbenzenesulfonamide Traditional Name: N-[(1-benzyl-3,5-dimethyl-pyrazol-4-yl)methyl]-4-isopropyl-benzenesulfonamide Formula: C22H27N3O2S MolecularWeight: 397.53368

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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)C(C)C

Isomeric SMILES

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

InChI

InChI=1S/C22H27N3O2S/c1-16(2)20-10-12-21(13-11-20)28(26,27)23-14-22-17(3)24-25(18(22)4)15-19-8-6-5-7-9-19/h5-13,16,23H,14-15H2,1-4H3