N-[2-(3,4-dimethylphenyl)sulfonyl-2-pyridin-3-yl-ethyl]-2,5-bis(fluoranyl)benzenesulfonamide

Systemtic Name: N-[2-(3,4-dimethylphenyl)sulfonyl-2-pyridin-3-yl-ethyl]-2,5-bis(fluoranyl)benzenesulfonamide Openeye Name: N-[2-(3,4-dimethylphenyl)sulfonyl-2-(3-pyridyl)ethyl]-2,5-difluoro-benzenesulfonamide CAS Name: N-[2-(3,4-dimethylphenyl)sulfonyl-2-(3-pyridinyl)ethyl]-2,5-difluorobenzenesulfonamide IUPAC Name: N-[2-(3,4-dimethylphenyl)sulfonyl-2-pyridin-3-ylethyl]-2,5-difluorobenzenesulfonamide Traditional Name: N-[2-(3,4-dimethylphenyl)sulfonyl-2-(3-pyridyl)ethyl]-2,5-difluoro-benzenesulfonamide Formula: C21H20F2N2O4S2 MolecularWeight: 466.521306

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)C(CNS(=O)(=O)C2=C(C=CC(=C2)F)F)C3=CN=CC=C3)C

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)C(CNS(=O)(=O)C2=C(C=CC(=C2)F)F)C3=CN=CC=C3)C

InChI

InChI=1S/C21H20F2N2O4S2/c1-14-5-7-18(10-15(14)2)30(26,27)21(16-4-3-9-24-12-16)13-25-31(28,29)20-11-17(22)6-8-19(20)23/h3-12,21,25H,13H2,1-2H3