methyl 3-[1-oxidanylidene-1-[(4-sulfamoylphenyl)amino]propan-2-yl]sulfanylpropanoate

Systemtic Name: methyl 3-[1-oxidanylidene-1-[(4-sulfamoylphenyl)amino]propan-2-yl]sulfanylpropanoate Openeye Name: methyl 3-[1-methyl-2-oxo-2-(4-sulfamoylanilino)ethyl]sulfanylpropanoate CAS Name: 3-[[1-oxo-1-(4-sulfamoylanilino)propan-2-yl]thio]propanoic acid methyl ester IUPAC Name: methyl 3-[1-oxo-1-(4-sulfamoylanilino)propan-2-yl]sulfanylpropanoate Traditional Name: 3-[[2-keto-1-methyl-2-(4-sulfamoylanilino)ethyl]thio]propionic acid methyl ester Formula: C13H18N2O5S2 MolecularWeight: 346.42242

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)S(=O)(=O)N)SCCC(=O)OC

Isomeric SMILES

CC(C(=O)NC1=CC=C(C=C1)S(=O)(=O)N)SCCC(=O)OC

InChI

InChI=1S/C13H18N2O5S2/c1-9(21-8-7-12(16)20-2)13(17)15-10-3-5-11(6-4-10)22(14,18)19/h3-6,9H,7-8H2,1-2H3,(H,15,17)(H2,14,18,19)