2-[(3-methylsulfonylphenyl)carbonylamino]-3-sulfanyl-propanoic acid

Systemtic Name: 2-[(3-methylsulfonylphenyl)carbonylamino]-3-sulfanyl-propanoic acid Openeye Name: 2-[(3-methylsulfonylbenzoyl)amino]-3-sulfanyl-propanoic acid CAS Name: 3-mercapto-2-[[(3-methylsulfonylphenyl)-oxomethyl]amino]propanoic acid IUPAC Name: 2-[(3-methylsulfonylbenzoyl)amino]-3-sulfanylpropanoic acid Traditional Name: 3-mercapto-2-[(3-mesylbenzoyl)amino]propionic acid Formula: C11H13NO5S2 MolecularWeight: 303.35462

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H13NO5S2/c1-19(16,17)8-4-2-3-7(5-8)10(13)12-9(6-18)11(14)15/h2-5,9,18H,6H2,1H3,(H,12,13)(H,14,15)