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

Systemtic Name: N-[4-[3-(4-methylphenyl)-2-propanoyl-3,4-dihydropyrazol-5-yl]phenyl]ethanesulfonamide Openeye Name: N-[4-[2-propanoyl-3-(p-tolyl)-3,4-dihydropyrazol-5-yl]phenyl]ethanesulfonamide CAS Name: N-[4-[3-(4-methylphenyl)-2-(1-oxopropyl)-3,4-dihydropyrazol-5-yl]phenyl]ethanesulfonamide IUPAC Name: N-[4-[3-(4-methylphenyl)-2-propanoyl-3,4-dihydropyrazol-5-yl]phenyl]ethanesulfonamide Traditional Name: N-[4-[1-propionyl-5-(p-tolyl)-2-pyrazolin-3-yl]phenyl]ethanesulfonamide Formula: C21H25N3O3S MolecularWeight: 399.5065

Click to see the large picture

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)C

Isomeric SMILES

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

InChI

InChI=1S/C21H25N3O3S/c1-4-21(25)24-20(17-8-6-15(3)7-9-17)14-19(22-24)16-10-12-18(13-11-16)23-28(26,27)5-2/h6-13,20,23H,4-5,14H2,1-3H3