2-[[methylsulfonyl-(4-sulfanylpyrrolidin-2-yl)methoxy]carbonyl-phenyl-amino]ethanoic acid

Systemtic Name: 2-[[methylsulfonyl-(4-sulfanylpyrrolidin-2-yl)methoxy]carbonyl-phenyl-amino]ethanoic acid Openeye Name: 2-(N-[methylsulfonyl-(4-sulfanylpyrrolidin-2-yl)methoxy]carbonylanilino)acetic acid CAS Name: 2-(N-[[(4-mercapto-2-pyrrolidinyl)-methylsulfonylmethoxy]-oxomethyl]anilino)acetic acid IUPAC Name: 2-(N-[methylsulfonyl-(4-sulfanylpyrrolidin-2-yl)methoxy]carbonylanilino)acetic acid Traditional Name: 2-(N-[(4-mercaptopyrrolidin-2-yl)-mesyl-methoxy]carbonylanilino)acetic acid Formula: C15H20N2O6S2 MolecularWeight: 388.4591

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C(C1CC(CN1)S)OC(=O)N(CC(=O)O)C2=CC=CC=C2

Isomeric SMILES

CS(=O)(=O)C(C1CC(CN1)S)OC(=O)N(CC(=O)O)C2=CC=CC=C2

InChI

InChI=1S/C15H20N2O6S2/c1-25(21,22)14(12-7-11(24)8-16-12)23-15(20)17(9-13(18)19)10-5-3-2-4-6-10/h2-6,11-12,14,16,24H,7-9H2,1H3,(H,18,19)