2-[(2-methylsulfanylphenyl)carbonylamino]-4-methylsulfonyl-butanoic acid

Systemtic Name: 2-[(2-methylsulfanylphenyl)carbonylamino]-4-methylsulfonyl-butanoic acid Openeye Name: 2-[(2-methylsulfanylbenzoyl)amino]-4-methylsulfonyl-butanoic acid CAS Name: 4-methylsulfonyl-2-[[[2-(methylthio)phenyl]-oxomethyl]amino]butanoic acid IUPAC Name: 2-[(2-methylsulfanylbenzoyl)amino]-4-methylsulfonylbutanoic acid Traditional Name: 4-mesyl-2-[[2-(methylthio)benzoyl]amino]butyric acid Formula: C13H17NO5S2 MolecularWeight: 331.40778

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC=C1C(=O)NC(CCS(=O)(=O)C)C(=O)O

Isomeric SMILES

CSC1=CC=CC=C1C(=O)NC(CCS(=O)(=O)C)C(=O)O

InChI

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