methyl 2-(2-chloroethylsulfonylmethyl)-3-phenylazanyl-propanoate

Systemtic Name: methyl 2-(2-chloroethylsulfonylmethyl)-3-phenylazanyl-propanoate Openeye Name: methyl 2-(anilinomethyl)-3-(2-chloroethylsulfonyl)propanoate CAS Name: 2-(anilinomethyl)-3-(2-chloroethylsulfonyl)propanoic acid methyl ester IUPAC Name: methyl 2-(anilinomethyl)-3-(2-chloroethylsulfonyl)propanoate Traditional Name: 2-(anilinomethyl)-3-(2-chloroethylsulfonyl)propionic acid methyl ester Formula: C13H18ClNO4S MolecularWeight: 319.80432

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CNC1=CC=CC=C1)CS(=O)(=O)CCCl

Isomeric SMILES

COC(=O)C(CNC1=CC=CC=C1)CS(=O)(=O)CCCl

InChI

InChI=1S/C13H18ClNO4S/c1-19-13(16)11(10-20(17,18)8-7-14)9-15-12-5-3-2-4-6-12/h2-6,11,15H,7-10H2,1H3