methyl 2-[(2-azanyl-4-methylsulfonyl-butanoyl)amino]benzoate

Systemtic Name: methyl 2-[(2-azanyl-4-methylsulfonyl-butanoyl)amino]benzoate Openeye Name: methyl 2-[(2-amino-4-methylsulfonyl-butanoyl)amino]benzoate CAS Name: 2-[(2-amino-4-methylsulfonyl-1-oxobutyl)amino]benzoic acid methyl ester IUPAC Name: methyl 2-[(2-amino-4-methylsulfonylbutanoyl)amino]benzoate Traditional Name: 2-[(2-amino-4-mesyl-butanoyl)amino]benzoic acid methyl ester Formula: C13H18N2O5S MolecularWeight: 314.35742

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC=C1NC(=O)C(CCS(=O)(=O)C)N

Isomeric SMILES

COC(=O)C1=CC=CC=C1NC(=O)C(CCS(=O)(=O)C)N

InChI

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