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

Systemtic Name: N-[4-[(3R)-2-(2,2-dimethylpropanoyl)-3-phenyl-3,4-dihydropyrazol-5-yl]phenyl]methanesulfonamide Openeye Name: N-[4-[(3R)-2-(2,2-dimethylpropanoyl)-3-phenyl-3,4-dihydropyrazol-5-yl]phenyl]methanesulfonamide CAS Name: N-[4-[(3R)-2-(2,2-dimethyl-1-oxopropyl)-3-phenyl-3,4-dihydropyrazol-5-yl]phenyl]methanesulfonamide IUPAC Name: N-[4-[(3R)-2-(2,2-dimethylpropanoyl)-3-phenyl-3,4-dihydropyrazol-5-yl]phenyl]methanesulfonamide Traditional Name: N-[4-[(5R)-5-phenyl-1-pivaloyl-2-pyrazolin-3-yl]phenyl]methanesulfonamide Formula: C21H25N3O3S MolecularWeight: 399.5065

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25N3O3S/c1-21(2,3)20(25)24-19(16-8-6-5-7-9-16)14-18(22-24)15-10-12-17(13-11-15)23-28(4,26)27/h5-13,19,23H,14H2,1-4H3/t19-/m1/s1