methyl (2S)-2-[3-(4-methylphenyl)sulfonylpropanoylamino]propanoate

Systemtic Name: methyl (2S)-2-[3-(4-methylphenyl)sulfonylpropanoylamino]propanoate Openeye Name: methyl (2S)-2-[3-(p-tolylsulfonyl)propanoylamino]propanoate CAS Name: (2S)-2-[[3-(4-methylphenyl)sulfonyl-1-oxopropyl]amino]propanoic acid methyl ester IUPAC Name: methyl (2S)-2-[3-(4-methylphenyl)sulfonylpropanoylamino]propanoate Traditional Name: (2S)-2-(3-tosylpropanoylamino)propionic acid methyl ester Formula: C14H19NO5S MolecularWeight: 313.36936

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)CCC(=O)NC(C)C(=O)OC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)CCC(=O)N[C@@H](C)C(=O)OC

InChI

InChI=1S/C14H19NO5S/c1-10-4-6-12(7-5-10)21(18,19)9-8-13(16)15-11(2)14(17)20-3/h4-7,11H,8-9H2,1-3H3,(H,15,16)/t11-/m0/s1