[2-[1-(4-ethylphenyl)ethylamino]-2-oxidanylidene-ethyl] 3-(4-sulfamoylphenyl)propanoate

Systemtic Name: [2-[1-(4-ethylphenyl)ethylamino]-2-oxidanylidene-ethyl] 3-(4-sulfamoylphenyl)propanoate Openeye Name: [2-[1-(4-ethylphenyl)ethylamino]-2-oxo-ethyl] 3-(4-sulfamoylphenyl)propanoate CAS Name: 3-(4-sulfamoylphenyl)propanoic acid [2-[1-(4-ethylphenyl)ethylamino]-2-oxoethyl] ester IUPAC Name: [2-[1-(4-ethylphenyl)ethylamino]-2-oxoethyl] 3-(4-sulfamoylphenyl)propanoate Traditional Name: 3-(4-sulfamoylphenyl)propionic acid [2-[1-(4-ethylphenyl)ethylamino]-2-keto-ethyl] ester Formula: C21H26N2O5S MolecularWeight: 418.50654

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(C)NC(=O)COC(=O)CCC2=CC=C(C=C2)S(=O)(=O)N

Isomeric SMILES

CCC1=CC=C(C=C1)C(C)NC(=O)COC(=O)CCC2=CC=C(C=C2)S(=O)(=O)N

InChI

InChI=1S/C21H26N2O5S/c1-3-16-4-9-18(10-5-16)15(2)23-20(24)14-28-21(25)13-8-17-6-11-19(12-7-17)29(22,26)27/h4-7,9-12,15H,3,8,13-14H2,1-2H3,(H,23,24)(H2,22,26,27)