methyl 2-[(4-aminophenyl)carbonylamino]-4-methylsulfonyl-butanoate

Systemtic Name: methyl 2-[(4-aminophenyl)carbonylamino]-4-methylsulfonyl-butanoate Openeye Name: methyl 2-[(4-aminobenzoyl)amino]-4-methylsulfonyl-butanoate CAS Name: 2-[[(4-aminophenyl)-oxomethyl]amino]-4-methylsulfonylbutanoic acid methyl ester IUPAC Name: methyl 2-[(4-aminobenzoyl)amino]-4-methylsulfonylbutanoate Traditional Name: 2-[(4-aminobenzoyl)amino]-4-mesyl-butyric acid methyl ester Formula: C13H18N2O5S MolecularWeight: 314.35742

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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