N-[4-[3-cyano-1-ethyl-6-(trifluoromethyloxy)indol-2-yl]-2-fluoranyl-phenyl]ethanesulfonamide

Systemtic Name: N-[4-[3-cyano-1-ethyl-6-(trifluoromethyloxy)indol-2-yl]-2-fluoranyl-phenyl]ethanesulfonamide Openeye Name: N-[4-[3-cyano-1-ethyl-6-(trifluoromethoxy)indol-2-yl]-2-fluoro-phenyl]ethanesulfonamide CAS Name: N-[4-[3-cyano-1-ethyl-6-(trifluoromethoxy)-2-indolyl]-2-fluorophenyl]ethanesulfonamide IUPAC Name: N-[4-[3-cyano-1-ethyl-6-(trifluoromethoxy)indol-2-yl]-2-fluorophenyl]ethanesulfonamide Traditional Name: N-[4-[3-cyano-1-ethyl-6-(trifluoromethoxy)indol-2-yl]-2-fluoro-phenyl]ethanesulfonamide Formula: C20H17F4N3O3S MolecularWeight: 455.425893

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=CC(=C2)OC(F)(F)F)C(=C1C3=CC(=C(C=C3)NS(=O)(=O)CC)F)C#N

Isomeric SMILES

CCN1C2=C(C=CC(=C2)OC(F)(F)F)C(=C1C3=CC(=C(C=C3)NS(=O)(=O)CC)F)C#N

InChI

InChI=1S/C20H17F4N3O3S/c1-3-27-18-10-13(30-20(22,23)24)6-7-14(18)15(11-25)19(27)12-5-8-17(16(21)9-12)26-31(28,29)4-2/h5-10,26H,3-4H2,1-2H3