N-[3-[(3R)-2-butanoyl-3-(2-fluorophenyl)-3,4-dihydropyrazol-5-yl]phenyl]ethanesulfonamide

Systemtic Name: N-[3-[(3R)-2-butanoyl-3-(2-fluorophenyl)-3,4-dihydropyrazol-5-yl]phenyl]ethanesulfonamide Openeye Name: N-[3-[(3R)-2-butanoyl-3-(2-fluorophenyl)-3,4-dihydropyrazol-5-yl]phenyl]ethanesulfonamide CAS Name: N-[3-[(3R)-3-(2-fluorophenyl)-2-(1-oxobutyl)-3,4-dihydropyrazol-5-yl]phenyl]ethanesulfonamide IUPAC Name: N-[3-[(3R)-2-butanoyl-3-(2-fluorophenyl)-3,4-dihydropyrazol-5-yl]phenyl]ethanesulfonamide Traditional Name: N-[3-[(5R)-1-butyryl-5-(2-fluorophenyl)-2-pyrazolin-3-yl]phenyl]ethanesulfonamide Formula: C21H24FN3O3S MolecularWeight: 417.496963

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)N1C(CC(=N1)C2=CC(=CC=C2)NS(=O)(=O)CC)C3=CC=CC=C3F

Isomeric SMILES

CCCC(=O)N1[C@H](CC(=N1)C2=CC(=CC=C2)NS(=O)(=O)CC)C3=CC=CC=C3F

InChI

InChI=1S/C21H24FN3O3S/c1-3-8-21(26)25-20(17-11-5-6-12-18(17)22)14-19(23-25)15-9-7-10-16(13-15)24-29(27,28)4-2/h5-7,9-13,20,24H,3-4,8,14H2,1-2H3/t20-/m1/s1