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

Systemtic Name: methyl 3-[3-[(2-aminophenyl)amino]-3-oxidanylidene-propyl]sulfonylpropanoate Openeye Name: methyl 3-[3-(2-aminoanilino)-3-oxo-propyl]sulfonylpropanoate CAS Name: 3-[3-(2-aminoanilino)-3-oxopropyl]sulfonylpropanoic acid methyl ester IUPAC Name: methyl 3-[3-(2-aminoanilino)-3-oxopropyl]sulfonylpropanoate Traditional Name: 3-[3-(2-aminoanilino)-3-keto-propyl]sulfonylpropionic acid methyl ester Formula: C13H18N2O5S MolecularWeight: 314.35742

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCS(=O)(=O)CCC(=O)NC1=CC=CC=C1N

Isomeric SMILES

COC(=O)CCS(=O)(=O)CCC(=O)NC1=CC=CC=C1N

InChI

InChI=1S/C13H18N2O5S/c1-20-13(17)7-9-21(18,19)8-6-12(16)15-11-5-3-2-4-10(11)14/h2-5H,6-9,14H2,1H3,(H,15,16)