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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)S(=O)(=O)NC2=C(N(N=C2C)CC3=CC=CC=C3)C

Isomeric SMILES

CCCCC1=CC=C(C=C1)S(=O)(=O)NC2=C(N(N=C2C)CC3=CC=CC=C3)C

InChI

InChI=1S/C22H27N3O2S/c1-4-5-9-19-12-14-21(15-13-19)28(26,27)24-22-17(2)23-25(18(22)3)16-20-10-7-6-8-11-20/h6-8,10-15,24H,4-5,9,16H2,1-3H3