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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCC(=O)N1[C@H](CC(=N1)C2=CC=C(C=C2)NS(=O)(=O)CC)C3=CC=CC=C3C

InChI

InChI=1S/C21H25N3O3S/c1-4-21(25)24-20(18-9-7-6-8-15(18)3)14-19(22-24)16-10-12-17(13-11-16)23-28(26,27)5-2/h6-13,20,23H,4-5,14H2,1-3H3/t20-/m1/s1