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

Systemtic Name: 4-butyl-N-[1-[(4-chlorophenyl)methyl]-3,5-dimethyl-pyrazol-4-yl]benzenesulfonamide Openeye Name: 4-butyl-N-[1-[(4-chlorophenyl)methyl]-3,5-dimethyl-pyrazol-4-yl]benzenesulfonamide CAS Name: 4-butyl-N-[1-[(4-chlorophenyl)methyl]-3,5-dimethyl-4-pyrazolyl]benzenesulfonamide IUPAC Name: 4-butyl-N-[1-[(4-chlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]benzenesulfonamide Traditional Name: 4-butyl-N-[1-(4-chlorobenzyl)-3,5-dimethyl-pyrazol-4-yl]benzenesulfonamide Formula: C22H26ClN3O2S MolecularWeight: 431.97874

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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=C(C=C3)Cl)C

Isomeric SMILES

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

InChI

InChI=1S/C22H26ClN3O2S/c1-4-5-6-18-9-13-21(14-10-18)29(27,28)25-22-16(2)24-26(17(22)3)15-19-7-11-20(23)12-8-19/h7-14,25H,4-6,15H2,1-3H3