[2-[[3-(dimethylsulfamoyl)phenyl]amino]-2-oxidanylidene-ethyl] 4-(1H-indol-3-yl)butanoate

Systemtic Name: [2-[[3-(dimethylsulfamoyl)phenyl]amino]-2-oxidanylidene-ethyl] 4-(1H-indol-3-yl)butanoate Openeye Name: [2-[3-(dimethylsulfamoyl)anilino]-2-oxo-ethyl] 4-(1H-indol-3-yl)butanoate CAS Name: 4-(1H-indol-3-yl)butanoic acid [2-[3-(dimethylsulfamoyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-[3-(dimethylsulfamoyl)anilino]-2-oxoethyl] 4-(1H-indol-3-yl)butanoate Traditional Name: 4-(1H-indol-3-yl)butyric acid [2-[3-(dimethylsulfamoyl)anilino]-2-keto-ethyl] ester Formula: C22H25N3O5S MolecularWeight: 443.516

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(C)S(=O)(=O)C1=CC=CC(=C1)NC(=O)COC(=O)CCCC2=CNC3=CC=CC=C32

Isomeric SMILES

CN(C)S(=O)(=O)C1=CC=CC(=C1)NC(=O)COC(=O)CCCC2=CNC3=CC=CC=C32

InChI

InChI=1S/C22H25N3O5S/c1-25(2)31(28,29)18-9-6-8-17(13-18)24-21(26)15-30-22(27)12-5-7-16-14-23-20-11-4-3-10-19(16)20/h3-4,6,8-11,13-14,23H,5,7,12,15H2,1-2H3,(H,24,26)