2-[(4-ethoxyphenyl)sulfonylamino]-4-methylsulfanyl-butanoic acid

Systemtic Name: 2-[(4-ethoxyphenyl)sulfonylamino]-4-methylsulfanyl-butanoic acid Openeye Name: 2-[(4-ethoxyphenyl)sulfonylamino]-4-methylsulfanyl-butanoic acid CAS Name: 2-[(4-ethoxyphenyl)sulfonylamino]-4-(methylthio)butanoic acid IUPAC Name: 2-[(4-ethoxyphenyl)sulfonylamino]-4-methylsulfanylbutanoic acid Traditional Name: 4-(methylthio)-2-(p-phenetylsulfonylamino)butyric acid Formula: C13H19NO5S2 MolecularWeight: 333.42366

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)S(=O)(=O)NC(CCSC)C(=O)O

Isomeric SMILES

CCOC1=CC=C(C=C1)S(=O)(=O)NC(CCSC)C(=O)O

InChI

InChI=1S/C13H19NO5S2/c1-3-19-10-4-6-11(7-5-10)21(17,18)14-12(13(15)16)8-9-20-2/h4-7,12,14H,3,8-9H2,1-2H3,(H,15,16)