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

Systemtic Name: N-[4-[(3R)-2-(2-ethylbutanoyl)-3-phenyl-3,4-dihydropyrazol-5-yl]phenyl]methanesulfonamide Openeye Name: N-[4-[(3R)-2-(2-ethylbutanoyl)-3-phenyl-3,4-dihydropyrazol-5-yl]phenyl]methanesulfonamide CAS Name: N-[4-[(3R)-2-(2-ethyl-1-oxobutyl)-3-phenyl-3,4-dihydropyrazol-5-yl]phenyl]methanesulfonamide IUPAC Name: N-[4-[(3R)-2-(2-ethylbutanoyl)-3-phenyl-3,4-dihydropyrazol-5-yl]phenyl]methanesulfonamide Traditional Name: N-[4-[(5R)-1-(2-ethylbutanoyl)-5-phenyl-2-pyrazolin-3-yl]phenyl]methanesulfonamide Formula: C22H27N3O3S MolecularWeight: 413.53308

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H27N3O3S/c1-4-16(5-2)22(26)25-21(18-9-7-6-8-10-18)15-20(23-25)17-11-13-19(14-12-17)24-29(3,27)28/h6-14,16,21,24H,4-5,15H2,1-3H3/t21-/m1/s1