2-azanyl-2-(2-hydroxyethyl)-3-(4-methoxyphenyl)sulfonyl-4-sulfanyl-butanoic acid

Systemtic Name: 2-azanyl-2-(2-hydroxyethyl)-3-(4-methoxyphenyl)sulfonyl-4-sulfanyl-butanoic acid Openeye Name: 2-amino-2-(2-hydroxyethyl)-3-(4-methoxyphenyl)sulfonyl-4-sulfanyl-butanoic acid CAS Name: 2-amino-2-(2-hydroxyethyl)-4-mercapto-3-(4-methoxyphenyl)sulfonylbutanoic acid IUPAC Name: 2-amino-2-(2-hydroxyethyl)-3-(4-methoxyphenyl)sulfonyl-4-sulfanylbutanoic acid Traditional Name: 2-amino-2-(2-hydroxyethyl)-4-mercapto-3-(4-methoxyphenyl)sulfonyl-butyric acid Formula: C13H19NO6S2 MolecularWeight: 349.42306

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)S(=O)(=O)C(CS)C(CCO)(C(=O)O)N

Isomeric SMILES

COC1=CC=C(C=C1)S(=O)(=O)C(CS)C(CCO)(C(=O)O)N

InChI

InChI=1S/C13H19NO6S2/c1-20-9-2-4-10(5-3-9)22(18,19)11(8-21)13(14,6-7-15)12(16)17/h2-5,11,15,21H,6-8,14H2,1H3,(H,16,17)