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

Systemtic Name: N-[3-[(3R)-2-butanoyl-3-(4-methoxyphenyl)-3,4-dihydropyrazol-5-yl]phenyl]methanesulfonamide Openeye Name: N-[3-[(3R)-2-butanoyl-3-(4-methoxyphenyl)-3,4-dihydropyrazol-5-yl]phenyl]methanesulfonamide CAS Name: N-[3-[(3R)-3-(4-methoxyphenyl)-2-(1-oxobutyl)-3,4-dihydropyrazol-5-yl]phenyl]methanesulfonamide IUPAC Name: N-[3-[(3R)-2-butanoyl-3-(4-methoxyphenyl)-3,4-dihydropyrazol-5-yl]phenyl]methanesulfonamide Traditional Name: N-[3-[(5R)-1-butyryl-5-(4-methoxyphenyl)-2-pyrazolin-3-yl]phenyl]methanesulfonamide Formula: C21H25N3O4S MolecularWeight: 415.5059

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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=C(C=C3)OC

Isomeric SMILES

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

InChI

InChI=1S/C21H25N3O4S/c1-4-6-21(25)24-20(15-9-11-18(28-2)12-10-15)14-19(22-24)16-7-5-8-17(13-16)23-29(3,26)27/h5,7-13,20,23H,4,6,14H2,1-3H3/t20-/m1/s1