[2-oxidanylidene-2-[(3-sulfamoylphenyl)amino]ethyl] 3-(4-methylphenyl)sulfanylpropanoate

Systemtic Name: [2-oxidanylidene-2-[(3-sulfamoylphenyl)amino]ethyl] 3-(4-methylphenyl)sulfanylpropanoate Openeye Name: [2-oxo-2-(3-sulfamoylanilino)ethyl] 3-(p-tolylsulfanyl)propanoate CAS Name: 3-[(4-methylphenyl)thio]propanoic acid [2-oxo-2-(3-sulfamoylanilino)ethyl] ester IUPAC Name: [2-oxo-2-(3-sulfamoylanilino)ethyl] 3-(4-methylphenyl)sulfanylpropanoate Traditional Name: 3-(p-tolylthio)propionic acid [2-keto-2-(3-sulfamoylanilino)ethyl] ester Formula: C18H20N2O5S2 MolecularWeight: 408.4918

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SCCC(=O)OCC(=O)NC2=CC(=CC=C2)S(=O)(=O)N

Isomeric SMILES

CC1=CC=C(C=C1)SCCC(=O)OCC(=O)NC2=CC(=CC=C2)S(=O)(=O)N

InChI

InChI=1S/C18H20N2O5S2/c1-13-5-7-15(8-6-13)26-10-9-18(22)25-12-17(21)20-14-3-2-4-16(11-14)27(19,23)24/h2-8,11H,9-10,12H2,1H3,(H,20,21)(H2,19,23,24)