2-[(1-methylsulfonyl-4-sulfanyl-pyrrolidin-2-yl)methoxy]-2-phenyl-ethanoic acid

Systemtic Name: 2-[(1-methylsulfonyl-4-sulfanyl-pyrrolidin-2-yl)methoxy]-2-phenyl-ethanoic acid Openeye Name: 2-[(1-methylsulfonyl-4-sulfanyl-pyrrolidin-2-yl)methoxy]-2-phenyl-acetic acid CAS Name: 2-[(4-mercapto-1-methylsulfonyl-2-pyrrolidinyl)methoxy]-2-phenylacetic acid IUPAC Name: 2-[(1-methylsulfonyl-4-sulfanylpyrrolidin-2-yl)methoxy]-2-phenylacetic acid Traditional Name: 2-[(4-mercapto-1-mesyl-pyrrolidin-2-yl)methoxy]-2-phenyl-acetic acid Formula: C14H19NO5S2 MolecularWeight: 345.43436

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CC(CC1COC(C2=CC=CC=C2)C(=O)O)S

Isomeric SMILES

CS(=O)(=O)N1CC(CC1COC(C2=CC=CC=C2)C(=O)O)S

InChI

InChI=1S/C14H19NO5S2/c1-22(18,19)15-8-12(21)7-11(15)9-20-13(14(16)17)10-5-3-2-4-6-10/h2-6,11-13,21H,7-9H2,1H3,(H,16,17)