methyl 3-[2-[(3-azanyl-4-chloranyl-phenyl)amino]-2-oxidanylidene-ethyl]sulfonylpropanoate

Systemtic Name: methyl 3-[2-[(3-azanyl-4-chloranyl-phenyl)amino]-2-oxidanylidene-ethyl]sulfonylpropanoate Openeye Name: methyl 3-[2-(3-amino-4-chloro-anilino)-2-oxo-ethyl]sulfonylpropanoate CAS Name: 3-[2-(3-amino-4-chloroanilino)-2-oxoethyl]sulfonylpropanoic acid methyl ester IUPAC Name: methyl 3-[2-(3-amino-4-chloroanilino)-2-oxoethyl]sulfonylpropanoate Traditional Name: 3-[2-(3-amino-4-chloro-anilino)-2-keto-ethyl]sulfonylpropionic acid methyl ester Formula: C12H15ClN2O5S MolecularWeight: 334.7759

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H15ClN2O5S/c1-20-12(17)4-5-21(18,19)7-11(16)15-8-2-3-9(13)10(14)6-8/h2-3,6H,4-5,7,14H2,1H3,(H,15,16)