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

Systemtic Name: N-[4-bromanyl-1-[(2-fluorophenyl)methyl]pyrazol-3-yl]-4-(2-methylpropyl)benzenesulfonamide Openeye Name: N-[4-bromo-1-[(2-fluorophenyl)methyl]pyrazol-3-yl]-4-isobutyl-benzenesulfonamide CAS Name: N-[4-bromo-1-[(2-fluorophenyl)methyl]-3-pyrazolyl]-4-(2-methylpropyl)benzenesulfonamide IUPAC Name: N-[4-bromo-1-[(2-fluorophenyl)methyl]pyrazol-3-yl]-4-(2-methylpropyl)benzenesulfonamide Traditional Name: N-[4-bromo-1-(2-fluorobenzyl)pyrazol-3-yl]-4-isobutyl-benzenesulfonamide Formula: C20H21BrFN3O2S MolecularWeight: 466.367043

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=CC=C(C=C1)S(=O)(=O)NC2=NN(C=C2Br)CC3=CC=CC=C3F

Isomeric SMILES

CC(C)CC1=CC=C(C=C1)S(=O)(=O)NC2=NN(C=C2Br)CC3=CC=CC=C3F

InChI

InChI=1S/C20H21BrFN3O2S/c1-14(2)11-15-7-9-17(10-8-15)28(26,27)24-20-18(21)13-25(23-20)12-16-5-3-4-6-19(16)22/h3-10,13-14H,11-12H2,1-2H3,(H,23,24)