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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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