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

Systemtic Name: 4-butyl-N-[1-[(3-fluorophenyl)methyl]-3,5-dimethyl-pyrazol-4-yl]benzenesulfonamide Openeye Name: 4-butyl-N-[1-[(3-fluorophenyl)methyl]-3,5-dimethyl-pyrazol-4-yl]benzenesulfonamide CAS Name: 4-butyl-N-[1-[(3-fluorophenyl)methyl]-3,5-dimethyl-4-pyrazolyl]benzenesulfonamide IUPAC Name: 4-butyl-N-[1-[(3-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]benzenesulfonamide Traditional Name: 4-butyl-N-[1-(3-fluorobenzyl)-3,5-dimethyl-pyrazol-4-yl]benzenesulfonamide Formula: C22H26FN3O2S MolecularWeight: 415.524143

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H26FN3O2S/c1-4-5-7-18-10-12-21(13-11-18)29(27,28)25-22-16(2)24-26(17(22)3)15-19-8-6-9-20(23)14-19/h6,8-14,25H,4-5,7,15H2,1-3H3