methyl 2-[3-[(4-aminophenyl)amino]-3-oxidanylidene-propyl]sulfonylethanoate

Systemtic Name: methyl 2-[3-[(4-aminophenyl)amino]-3-oxidanylidene-propyl]sulfonylethanoate Openeye Name: methyl 2-[3-(4-aminoanilino)-3-oxo-propyl]sulfonylacetate CAS Name: 2-[3-(4-aminoanilino)-3-oxopropyl]sulfonylacetic acid methyl ester IUPAC Name: methyl 2-[3-(4-aminoanilino)-3-oxopropyl]sulfonylacetate Traditional Name: 2-[3-(4-aminoanilino)-3-keto-propyl]sulfonylacetic acid methyl ester Formula: C12H16N2O5S MolecularWeight: 300.33084

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CS(=O)(=O)CCC(=O)NC1=CC=C(C=C1)N

Isomeric SMILES

COC(=O)CS(=O)(=O)CCC(=O)NC1=CC=C(C=C1)N

InChI

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