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

Systemtic Name: N-[4-[(3R)-3-(4-fluorophenyl)-2-propanoyl-3,4-dihydropyrazol-5-yl]phenyl]ethanesulfonamide Openeye Name: N-[4-[(3R)-3-(4-fluorophenyl)-2-propanoyl-3,4-dihydropyrazol-5-yl]phenyl]ethanesulfonamide CAS Name: N-[4-[(3R)-3-(4-fluorophenyl)-2-(1-oxopropyl)-3,4-dihydropyrazol-5-yl]phenyl]ethanesulfonamide IUPAC Name: N-[4-[(3R)-3-(4-fluorophenyl)-2-propanoyl-3,4-dihydropyrazol-5-yl]phenyl]ethanesulfonamide Traditional Name: N-[4-[(5R)-5-(4-fluorophenyl)-1-propionyl-2-pyrazolin-3-yl]phenyl]ethanesulfonamide Formula: C20H22FN3O3S MolecularWeight: 403.470383

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22FN3O3S/c1-3-20(25)24-19(15-5-9-16(21)10-6-15)13-18(22-24)14-7-11-17(12-8-14)23-28(26,27)4-2/h5-12,19,23H,3-4,13H2,1-2H3/t19-/m1/s1