4-butyl-N-[4-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]benzenesulfonamide

Systemtic Name: 4-butyl-N-[4-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]benzenesulfonamide Openeye Name: 4-butyl-N-[4-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]benzenesulfonamide CAS Name: 4-butyl-N-[4-[(3,5-dimethyl-1-pyrazolyl)methyl]phenyl]benzenesulfonamide IUPAC Name: 4-butyl-N-[4-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]benzenesulfonamide Traditional Name: 4-butyl-N-[4-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]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=CC=C(C=C2)CN3C(=CC(=N3)C)C

Isomeric SMILES

CCCCC1=CC=C(C=C1)S(=O)(=O)NC2=CC=C(C=C2)CN3C(=CC(=N3)C)C

InChI

InChI=1S/C22H27N3O2S/c1-4-5-6-19-9-13-22(14-10-19)28(26,27)24-21-11-7-20(8-12-21)16-25-18(3)15-17(2)23-25/h7-15,24H,4-6,16H2,1-3H3