N,N-dimethyl-3-[[2-oxidanylidene-2-(5-phenyl-3,4-dihydropyrazol-2-yl)ethyl]sulfanylmethyl]benzenesulfonamide

Systemtic Name: N,N-dimethyl-3-[[2-oxidanylidene-2-(5-phenyl-3,4-dihydropyrazol-2-yl)ethyl]sulfanylmethyl]benzenesulfonamide Openeye Name: N,N-dimethyl-3-[[2-oxo-2-(5-phenyl-3,4-dihydropyrazol-2-yl)ethyl]sulfanylmethyl]benzenesulfonamide CAS Name: N,N-dimethyl-3-[[[2-oxo-2-(5-phenyl-3,4-dihydropyrazol-2-yl)ethyl]thio]methyl]benzenesulfonamide IUPAC Name: N,N-dimethyl-3-[[2-oxo-2-(5-phenyl-3,4-dihydropyrazol-2-yl)ethyl]sulfanylmethyl]benzenesulfonamide Traditional Name: 3-[[[2-keto-2-(3-phenyl-2-pyrazolin-1-yl)ethyl]thio]methyl]-N,N-dimethyl-benzenesulfonamide Formula: C20H23N3O3S2 MolecularWeight: 417.54492

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(C)S(=O)(=O)C1=CC=CC(=C1)CSCC(=O)N2CCC(=N2)C3=CC=CC=C3

Isomeric SMILES

CN(C)S(=O)(=O)C1=CC=CC(=C1)CSCC(=O)N2CCC(=N2)C3=CC=CC=C3

InChI

InChI=1S/C20H23N3O3S2/c1-22(2)28(25,26)18-10-6-7-16(13-18)14-27-15-20(24)23-12-11-19(21-23)17-8-4-3-5-9-17/h3-10,13H,11-12,14-15H2,1-2H3