5-tert-butyl-2-methyl-N-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]benzenesulfonamide

Systemtic Name: 5-tert-butyl-2-methyl-N-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]benzenesulfonamide Openeye Name: 5-tert-butyl-2-methyl-N-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]benzenesulfonamide CAS Name: 5-tert-butyl-2-methyl-N-[[4-(1-pyrazolylmethyl)phenyl]methyl]benzenesulfonamide IUPAC Name: 5-tert-butyl-2-methyl-N-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]benzenesulfonamide Traditional Name: 5-tert-butyl-2-methyl-N-[4-(pyrazol-1-ylmethyl)benzyl]benzenesulfonamide Formula: C22H27N3O2S MolecularWeight: 397.53368

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(C)(C)C)S(=O)(=O)NCC2=CC=C(C=C2)CN3C=CC=N3

Isomeric SMILES

CC1=C(C=C(C=C1)C(C)(C)C)S(=O)(=O)NCC2=CC=C(C=C2)CN3C=CC=N3

InChI

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