N-[3-[3-(2-methylphenyl)-2-propanoyl-1,3-dihydropyrazol-5-yl]phenyl]ethanesulfonamide

Systemtic Name: N-[3-[3-(2-methylphenyl)-2-propanoyl-1,3-dihydropyrazol-5-yl]phenyl]ethanesulfonamide Openeye Name: N-[3-[3-(o-tolyl)-2-propanoyl-1,3-dihydropyrazol-5-yl]phenyl]ethanesulfonamide CAS Name: N-[3-[3-(2-methylphenyl)-2-(1-oxopropyl)-1,3-dihydropyrazol-5-yl]phenyl]ethanesulfonamide IUPAC Name: N-[3-[3-(2-methylphenyl)-2-propanoyl-1,3-dihydropyrazol-5-yl]phenyl]ethanesulfonamide Traditional Name: N-[3-[5-(o-tolyl)-1-propionyl-3-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(C=C(N1)C2=CC(=CC=C2)NS(=O)(=O)CC)C3=CC=CC=C3C

Isomeric SMILES

CCC(=O)N1C(C=C(N1)C2=CC(=CC=C2)NS(=O)(=O)CC)C3=CC=CC=C3C

InChI

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