[1-oxidanylidene-1-[(phenylmethyl)carbamoylamino]propan-2-yl] 3-[4-(methylsulfamoyl)phenyl]propanoate

Systemtic Name: [1-oxidanylidene-1-[(phenylmethyl)carbamoylamino]propan-2-yl] 3-[4-(methylsulfamoyl)phenyl]propanoate Openeye Name: [2-(benzylcarbamoylamino)-1-methyl-2-oxo-ethyl] 3-[4-(methylsulfamoyl)phenyl]propanoate CAS Name: 3-[4-(methylsulfamoyl)phenyl]propanoic acid [1-oxo-1-[[oxo-[(phenylmethyl)amino]methyl]amino]propan-2-yl] ester IUPAC Name: [1-(benzylcarbamoylamino)-1-oxopropan-2-yl] 3-[4-(methylsulfamoyl)phenyl]propanoate Traditional Name: 3-[4-(methylsulfamoyl)phenyl]propionic acid [2-(benzylcarbamoylamino)-2-keto-1-methyl-ethyl] ester Formula: C21H25N3O6S MolecularWeight: 447.5047

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(=O)NCC1=CC=CC=C1)OC(=O)CCC2=CC=C(C=C2)S(=O)(=O)NC

Isomeric SMILES

CC(C(=O)NC(=O)NCC1=CC=CC=C1)OC(=O)CCC2=CC=C(C=C2)S(=O)(=O)NC

InChI

InChI=1S/C21H25N3O6S/c1-15(20(26)24-21(27)23-14-17-6-4-3-5-7-17)30-19(25)13-10-16-8-11-18(12-9-16)31(28,29)22-2/h3-9,11-12,15,22H,10,13-14H2,1-2H3,(H2,23,24,26,27)