2-[(4-methylsulfonylphenyl)methylamino]-3-sulfanyl-propanoic acid

Systemtic Name: 2-[(4-methylsulfonylphenyl)methylamino]-3-sulfanyl-propanoic acid Openeye Name: 2-[(4-methylsulfonylphenyl)methylamino]-3-sulfanyl-propanoic acid CAS Name: 3-mercapto-2-[(4-methylsulfonylphenyl)methylamino]propanoic acid IUPAC Name: 2-[(4-methylsulfonylphenyl)methylamino]-3-sulfanylpropanoic acid Traditional Name: 3-mercapto-2-[(4-mesylbenzyl)amino]propionic acid Formula: C11H15NO4S2 MolecularWeight: 289.3711

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H15NO4S2/c1-18(15,16)9-4-2-8(3-5-9)6-12-10(7-17)11(13)14/h2-5,10,12,17H,6-7H2,1H3,(H,13,14)