methyl 2-[1-[(3-azanyl-4-chloranyl-phenyl)amino]-1-oxidanylidene-propan-2-yl]sulfonylethanoate

Systemtic Name: methyl 2-[1-[(3-azanyl-4-chloranyl-phenyl)amino]-1-oxidanylidene-propan-2-yl]sulfonylethanoate Openeye Name: methyl 2-[2-(3-amino-4-chloro-anilino)-1-methyl-2-oxo-ethyl]sulfonylacetate CAS Name: 2-[1-(3-amino-4-chloroanilino)-1-oxopropan-2-yl]sulfonylacetic acid methyl ester IUPAC Name: methyl 2-[1-(3-amino-4-chloroanilino)-1-oxopropan-2-yl]sulfonylacetate Traditional Name: 2-[2-(3-amino-4-chloro-anilino)-2-keto-1-methyl-ethyl]sulfonylacetic acid methyl ester Formula: C12H15ClN2O5S MolecularWeight: 334.7759

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC(=C(C=C1)Cl)N)S(=O)(=O)CC(=O)OC

Isomeric SMILES

CC(C(=O)NC1=CC(=C(C=C1)Cl)N)S(=O)(=O)CC(=O)OC

InChI

InChI=1S/C12H15ClN2O5S/c1-7(21(18,19)6-11(16)20-2)12(17)15-8-3-4-9(13)10(14)5-8/h3-5,7H,6,14H2,1-2H3,(H,15,17)