methyl 3-[2-[(3-aminophenyl)amino]-2-oxidanylidene-ethyl]sulfonylpropanoate

Systemtic Name: methyl 3-[2-[(3-aminophenyl)amino]-2-oxidanylidene-ethyl]sulfonylpropanoate Openeye Name: methyl 3-[2-(3-aminoanilino)-2-oxo-ethyl]sulfonylpropanoate CAS Name: 3-[2-(3-aminoanilino)-2-oxoethyl]sulfonylpropanoic acid methyl ester IUPAC Name: methyl 3-[2-(3-aminoanilino)-2-oxoethyl]sulfonylpropanoate Traditional Name: 3-[2-(3-aminoanilino)-2-keto-ethyl]sulfonylpropionic acid methyl ester Formula: C12H16N2O5S MolecularWeight: 300.33084

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCS(=O)(=O)CC(=O)NC1=CC=CC(=C1)N

Isomeric SMILES

COC(=O)CCS(=O)(=O)CC(=O)NC1=CC=CC(=C1)N

InChI

InChI=1S/C12H16N2O5S/c1-19-12(16)5-6-20(17,18)8-11(15)14-10-4-2-3-9(13)7-10/h2-4,7H,5-6,8,13H2,1H3,(H,14,15)