methyl 2-[(4-chloranyl-3-methylsulfonyl-phenyl)carbonyl-methyl-amino]ethanoate

Systemtic Name: methyl 2-[(4-chloranyl-3-methylsulfonyl-phenyl)carbonyl-methyl-amino]ethanoate Openeye Name: methyl 2-[(4-chloro-3-methylsulfonyl-benzoyl)-methyl-amino]acetate CAS Name: 2-[[(4-chloro-3-methylsulfonylphenyl)-oxomethyl]-methylamino]acetic acid methyl ester IUPAC Name: methyl 2-[(4-chloro-3-methylsulfonylbenzoyl)-methylamino]acetate Traditional Name: 2-[(4-chloro-3-mesyl-benzoyl)-methyl-amino]acetic acid methyl ester Formula: C12H14ClNO5S MolecularWeight: 319.76126

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC(=O)OC)C(=O)C1=CC(=C(C=C1)Cl)S(=O)(=O)C

Isomeric SMILES

CN(CC(=O)OC)C(=O)C1=CC(=C(C=C1)Cl)S(=O)(=O)C

InChI

InChI=1S/C12H14ClNO5S/c1-14(7-11(15)19-2)12(16)8-4-5-9(13)10(6-8)20(3,17)18/h4-6H,7H2,1-3H3