4-butyl-N-[1-[(2-chloranyl-4-fluoranyl-phenyl)methyl]-3,5-dimethyl-pyrazol-4-yl]benzenesulfonamide

Systemtic Name: 4-butyl-N-[1-[(2-chloranyl-4-fluoranyl-phenyl)methyl]-3,5-dimethyl-pyrazol-4-yl]benzenesulfonamide Openeye Name: 4-butyl-N-[1-[(2-chloro-4-fluoro-phenyl)methyl]-3,5-dimethyl-pyrazol-4-yl]benzenesulfonamide CAS Name: 4-butyl-N-[1-[(2-chloro-4-fluorophenyl)methyl]-3,5-dimethyl-4-pyrazolyl]benzenesulfonamide IUPAC Name: 4-butyl-N-[1-[(2-chloro-4-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]benzenesulfonamide Traditional Name: 4-butyl-N-[1-(2-chloro-4-fluoro-benzyl)-3,5-dimethyl-pyrazol-4-yl]benzenesulfonamide Formula: C22H25ClFN3O2S MolecularWeight: 449.969203

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H25ClFN3O2S/c1-4-5-6-17-7-11-20(12-8-17)30(28,29)26-22-15(2)25-27(16(22)3)14-18-9-10-19(24)13-21(18)23/h7-13,26H,4-6,14H2,1-3H3