(2S,4R)-4-oxidanyl-1-(2,3,5,6-tetramethylphenyl)sulfonyl-pyrrolidine-2-carboxylate

Systemtic Name: (2S,4R)-4-oxidanyl-1-(2,3,5,6-tetramethylphenyl)sulfonyl-pyrrolidine-2-carboxylate Openeye Name: (2S,4R)-4-hydroxy-1-(2,3,5,6-tetramethylphenyl)sulfonyl-pyrrolidine-2-carboxylate CAS Name: (2S,4R)-4-hydroxy-1-(2,3,5,6-tetramethylphenyl)sulfonyl-2-pyrrolidinecarboxylate IUPAC Name: (2S,4R)-4-hydroxy-1-(2,3,5,6-tetramethylphenyl)sulfonylpyrrolidine-2-carboxylate Traditional Name: (2S,4R)-4-hydroxy-1-(2,3,5,6-tetramethylphenyl)sulfonyl-pyrrolidine-2-carboxylate Formula: C15H20NO5S- MolecularWeight: 326.388

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1C)S(=O)(=O)N2CC(CC2C(=O)[O-])O)C)C

Isomeric SMILES

CC1=CC(=C(C(=C1C)S(=O)(=O)N2C[C@@H](C[C@H]2C(=O)[O-])O)C)C

InChI

InChI=1S/C15H21NO5S/c1-8-5-9(2)11(4)14(10(8)3)22(20,21)16-7-12(17)6-13(16)15(18)19/h5,12-13,17H,6-7H2,1-4H3,(H,18,19)/p-1/t12-,13+/m1/s1