methyl 2-acetamido-3-[(4-aminophenyl)methylsulfonyl]propanoate

Systemtic Name: methyl 2-acetamido-3-[(4-aminophenyl)methylsulfonyl]propanoate Openeye Name: methyl 2-acetamido-3-[(4-aminophenyl)methylsulfonyl]propanoate CAS Name: 2-acetamido-3-[(4-aminophenyl)methylsulfonyl]propanoic acid methyl ester IUPAC Name: methyl 2-acetamido-3-[(4-aminophenyl)methylsulfonyl]propanoate Traditional Name: 2-acetamido-3-(4-aminobenzyl)sulfonyl-propionic acid methyl ester Formula: C13H18N2O5S MolecularWeight: 314.35742

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CS(=O)(=O)CC1=CC=C(C=C1)N)C(=O)OC

Isomeric SMILES

CC(=O)NC(CS(=O)(=O)CC1=CC=C(C=C1)N)C(=O)OC

InChI

InChI=1S/C13H18N2O5S/c1-9(16)15-12(13(17)20-2)8-21(18,19)7-10-3-5-11(14)6-4-10/h3-6,12H,7-8,14H2,1-2H3,(H,15,16)