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

Systemtic Name: N-[3-[(3R)-2-butanoyl-3-(3-fluorophenyl)-3,4-dihydropyrazol-5-yl]phenyl]methanesulfonamide Openeye Name: N-[3-[(3R)-2-butanoyl-3-(3-fluorophenyl)-3,4-dihydropyrazol-5-yl]phenyl]methanesulfonamide CAS Name: N-[3-[(3R)-3-(3-fluorophenyl)-2-(1-oxobutyl)-3,4-dihydropyrazol-5-yl]phenyl]methanesulfonamide IUPAC Name: N-[3-[(3R)-2-butanoyl-3-(3-fluorophenyl)-3,4-dihydropyrazol-5-yl]phenyl]methanesulfonamide Traditional Name: N-[3-[(5R)-1-butyryl-5-(3-fluorophenyl)-2-pyrazolin-3-yl]phenyl]methanesulfonamide Formula: C20H22FN3O3S MolecularWeight: 403.470383

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)N1C(CC(=N1)C2=CC(=CC=C2)NS(=O)(=O)C)C3=CC(=CC=C3)F

Isomeric SMILES

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

InChI

InChI=1S/C20H22FN3O3S/c1-3-6-20(25)24-19(15-8-4-9-16(21)11-15)13-18(22-24)14-7-5-10-17(12-14)23-28(2,26)27/h4-5,7-12,19,23H,3,6,13H2,1-2H3/t19-/m1/s1