methyl 3-oxidanyl-2-[3-(phenylsulfonyl)propanoylamino]propanoate

Systemtic Name: methyl 3-oxidanyl-2-[3-(phenylsulfonyl)propanoylamino]propanoate Openeye Name: methyl 2-[3-(benzenesulfonyl)propanoylamino]-3-hydroxy-propanoate CAS Name: 2-[[3-(benzenesulfonyl)-1-oxopropyl]amino]-3-hydroxypropanoic acid methyl ester IUPAC Name: methyl 2-[3-(benzenesulfonyl)propanoylamino]-3-hydroxypropanoate Traditional Name: 2-(3-besylpropanoylamino)-3-hydroxy-propionic acid methyl ester Formula: C13H17NO6S MolecularWeight: 315.34218

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CO)NC(=O)CCS(=O)(=O)C1=CC=CC=C1

Isomeric SMILES

COC(=O)C(CO)NC(=O)CCS(=O)(=O)C1=CC=CC=C1

InChI

InChI=1S/C13H17NO6S/c1-20-13(17)11(9-15)14-12(16)7-8-21(18,19)10-5-3-2-4-6-10/h2-6,11,15H,7-9H2,1H3,(H,14,16)