4-azanyl-2-[(3-methylsulfonylphenyl)carbonylamino]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-azanyl-2-[(3-methylsulfonylphenyl)carbonylamino]-4-oxidanylidene-butanoic acid Openeye Name: 4-amino-2-[(3-methylsulfonylbenzoyl)amino]-4-oxo-butanoic acid CAS Name: 4-amino-2-[[(3-methylsulfonylphenyl)-oxomethyl]amino]-4-oxobutanoic acid IUPAC Name: 4-amino-2-[(3-methylsulfonylbenzoyl)amino]-4-oxobutanoic acid Traditional Name: 4-amino-4-keto-2-[(3-mesylbenzoyl)amino]butyric acid Formula: C12H14N2O6S MolecularWeight: 314.31436

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H14N2O6S/c1-21(19,20)8-4-2-3-7(5-8)11(16)14-9(12(17)18)6-10(13)15/h2-5,9H,6H2,1H3,(H2,13,15)(H,14,16)(H,17,18)