4-butyl-N-[1-[(2-chloranyl-6-fluoranyl-phenyl)methyl]pyrazol-4-yl]benzenesulfonamide

Systemtic Name: 4-butyl-N-[1-[(2-chloranyl-6-fluoranyl-phenyl)methyl]pyrazol-4-yl]benzenesulfonamide Openeye Name: 4-butyl-N-[1-[(2-chloro-6-fluoro-phenyl)methyl]pyrazol-4-yl]benzenesulfonamide CAS Name: 4-butyl-N-[1-[(2-chloro-6-fluorophenyl)methyl]-4-pyrazolyl]benzenesulfonamide IUPAC Name: 4-butyl-N-[1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-4-yl]benzenesulfonamide Traditional Name: 4-butyl-N-[1-(2-chloro-6-fluoro-benzyl)pyrazol-4-yl]benzenesulfonamide Formula: C20H21ClFN3O2S MolecularWeight: 421.916043

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)S(=O)(=O)NC2=CN(N=C2)CC3=C(C=CC=C3Cl)F

Isomeric SMILES

CCCCC1=CC=C(C=C1)S(=O)(=O)NC2=CN(N=C2)CC3=C(C=CC=C3Cl)F

InChI

InChI=1S/C20H21ClFN3O2S/c1-2-3-5-15-8-10-17(11-9-15)28(26,27)24-16-12-23-25(13-16)14-18-19(21)6-4-7-20(18)22/h4,6-13,24H,2-3,5,14H2,1H3