4-methylsulfanyl-2-[(4-methylsulfonylphenyl)carbonylamino]butanoic acid

Systemtic Name: 4-methylsulfanyl-2-[(4-methylsulfonylphenyl)carbonylamino]butanoic acid Openeye Name: 4-methylsulfanyl-2-[(4-methylsulfonylbenzoyl)amino]butanoic acid CAS Name: 2-[[(4-methylsulfonylphenyl)-oxomethyl]amino]-4-(methylthio)butanoic acid IUPAC Name: 4-methylsulfanyl-2-[(4-methylsulfonylbenzoyl)amino]butanoic acid Traditional Name: 2-[(4-mesylbenzoyl)amino]-4-(methylthio)butyric acid Formula: C13H17NO5S2 MolecularWeight: 331.40778

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)O)NC(=O)C1=CC=C(C=C1)S(=O)(=O)C

Isomeric SMILES

CSCCC(C(=O)O)NC(=O)C1=CC=C(C=C1)S(=O)(=O)C

InChI

InChI=1S/C13H17NO5S2/c1-20-8-7-11(13(16)17)14-12(15)9-3-5-10(6-4-9)21(2,18)19/h3-6,11H,7-8H2,1-2H3,(H,14,15)(H,16,17)