methyl 3-[2-oxidanylidene-2-[(4-sulfamoylphenyl)methylamino]ethyl]sulfanylpropanoate

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

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCSCC(=O)NCC1=CC=C(C=C1)S(=O)(=O)N

Isomeric SMILES

COC(=O)CCSCC(=O)NCC1=CC=C(C=C1)S(=O)(=O)N

InChI

InChI=1S/C13H18N2O5S2/c1-20-13(17)6-7-21-9-12(16)15-8-10-2-4-11(5-3-10)22(14,18)19/h2-5H,6-9H2,1H3,(H,15,16)(H2,14,18,19)