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

Systemtic Name: N-[3-[(3R)-2-butanoyl-3-(2,5-dimethoxyphenyl)-3,4-dihydropyrazol-5-yl]phenyl]methanesulfonamide Openeye Name: N-[3-[(3R)-2-butanoyl-3-(2,5-dimethoxyphenyl)-3,4-dihydropyrazol-5-yl]phenyl]methanesulfonamide CAS Name: N-[3-[(3R)-3-(2,5-dimethoxyphenyl)-2-(1-oxobutyl)-3,4-dihydropyrazol-5-yl]phenyl]methanesulfonamide IUPAC Name: N-[3-[(3R)-2-butanoyl-3-(2,5-dimethoxyphenyl)-3,4-dihydropyrazol-5-yl]phenyl]methanesulfonamide Traditional Name: N-[3-[(5R)-1-butyryl-5-(2,5-dimethoxyphenyl)-2-pyrazolin-3-yl]phenyl]methanesulfonamide Formula: C22H27N3O5S MolecularWeight: 445.53188

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H27N3O5S/c1-5-7-22(26)25-20(18-13-17(29-2)10-11-21(18)30-3)14-19(23-25)15-8-6-9-16(12-15)24-31(4,27)28/h6,8-13,20,24H,5,7,14H2,1-4H3/t20-/m1/s1