4-butyl-N-[1-[(2-fluorophenyl)methyl]pyrazol-3-yl]benzenesulfonamide

Systemtic Name: 4-butyl-N-[1-[(2-fluorophenyl)methyl]pyrazol-3-yl]benzenesulfonamide Openeye Name: 4-butyl-N-[1-[(2-fluorophenyl)methyl]pyrazol-3-yl]benzenesulfonamide CAS Name: 4-butyl-N-[1-[(2-fluorophenyl)methyl]-3-pyrazolyl]benzenesulfonamide IUPAC Name: 4-butyl-N-[1-[(2-fluorophenyl)methyl]pyrazol-3-yl]benzenesulfonamide Traditional Name: 4-butyl-N-[1-(2-fluorobenzyl)pyrazol-3-yl]benzenesulfonamide Formula: C20H22FN3O2S MolecularWeight: 387.470983

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)S(=O)(=O)NC2=NN(C=C2)CC3=CC=CC=C3F

Isomeric SMILES

CCCCC1=CC=C(C=C1)S(=O)(=O)NC2=NN(C=C2)CC3=CC=CC=C3F

InChI

InChI=1S/C20H22FN3O2S/c1-2-3-6-16-9-11-18(12-10-16)27(25,26)23-20-13-14-24(22-20)15-17-7-4-5-8-19(17)21/h4-5,7-14H,2-3,6,15H2,1H3,(H,22,23)