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

Systemtic Name: N-[4-[3-cyano-1-ethyl-6-(trifluoromethyloxy)indol-2-yl]phenyl]propane-1-sulfonamide Openeye Name: N-[4-[3-cyano-1-ethyl-6-(trifluoromethoxy)indol-2-yl]phenyl]propane-1-sulfonamide CAS Name: N-[4-[3-cyano-1-ethyl-6-(trifluoromethoxy)-2-indolyl]phenyl]-1-propanesulfonamide IUPAC Name: N-[4-[3-cyano-1-ethyl-6-(trifluoromethoxy)indol-2-yl]phenyl]propane-1-sulfonamide Traditional Name: N-[4-[3-cyano-1-ethyl-6-(trifluoromethoxy)indol-2-yl]phenyl]propane-1-sulfonamide Formula: C21H20F3N3O3S MolecularWeight: 451.46201

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCS(=O)(=O)NC1=CC=C(C=C1)C2=C(C3=C(N2CC)C=C(C=C3)OC(F)(F)F)C#N

Isomeric SMILES

CCCS(=O)(=O)NC1=CC=C(C=C1)C2=C(C3=C(N2CC)C=C(C=C3)OC(F)(F)F)C#N

InChI

InChI=1S/C21H20F3N3O3S/c1-3-11-31(28,29)26-15-7-5-14(6-8-15)20-18(13-25)17-10-9-16(30-21(22,23)24)12-19(17)27(20)4-2/h5-10,12,26H,3-4,11H2,1-2H3