methyl 2-[(4-chloranyl-3-methylsulfonyl-phenyl)carbonylamino]-3-oxidanyl-propanoate

Systemtic Name: methyl 2-[(4-chloranyl-3-methylsulfonyl-phenyl)carbonylamino]-3-oxidanyl-propanoate Openeye Name: methyl 2-[(4-chloro-3-methylsulfonyl-benzoyl)amino]-3-hydroxy-propanoate CAS Name: 2-[[(4-chloro-3-methylsulfonylphenyl)-oxomethyl]amino]-3-hydroxypropanoic acid methyl ester IUPAC Name: methyl 2-[(4-chloro-3-methylsulfonylbenzoyl)amino]-3-hydroxypropanoate Traditional Name: 2-[(4-chloro-3-mesyl-benzoyl)amino]-3-hydroxy-propionic acid methyl ester Formula: C12H14ClNO6S MolecularWeight: 335.76066

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CO)NC(=O)C1=CC(=C(C=C1)Cl)S(=O)(=O)C

Isomeric SMILES

COC(=O)C(CO)NC(=O)C1=CC(=C(C=C1)Cl)S(=O)(=O)C

InChI

InChI=1S/C12H14ClNO6S/c1-20-12(17)9(6-15)14-11(16)7-3-4-8(13)10(5-7)21(2,18)19/h3-5,9,15H,6H2,1-2H3,(H,14,16)