[2-[[3-(diethylsulfamoyl)phenyl]amino]-2-oxidanylidene-ethyl] 3-phenylsulfanylpropanoate

Systemtic Name: [2-[[3-(diethylsulfamoyl)phenyl]amino]-2-oxidanylidene-ethyl] 3-phenylsulfanylpropanoate Openeye Name: [2-[3-(diethylsulfamoyl)anilino]-2-oxo-ethyl] 3-phenylsulfanylpropanoate CAS Name: 3-(phenylthio)propanoic acid [2-[3-(diethylsulfamoyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-[3-(diethylsulfamoyl)anilino]-2-oxoethyl] 3-phenylsulfanylpropanoate Traditional Name: 3-(phenylthio)propionic acid [2-[3-(diethylsulfamoyl)anilino]-2-keto-ethyl] ester Formula: C21H26N2O5S2 MolecularWeight: 450.57154

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=CC=CC(=C1)NC(=O)COC(=O)CCSC2=CC=CC=C2

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CC=CC(=C1)NC(=O)COC(=O)CCSC2=CC=CC=C2

InChI

InChI=1S/C21H26N2O5S2/c1-3-23(4-2)30(26,27)19-12-8-9-17(15-19)22-20(24)16-28-21(25)13-14-29-18-10-6-5-7-11-18/h5-12,15H,3-4,13-14,16H2,1-2H3,(H,22,24)