(4-methoxyphenyl)methyl (2S,4R)-2-(hydroxymethyl)-4-methylsulfonyloxy-pyrrolidine-1-carboxylate; 4-methylbenzenesulfonic acid

Systemtic Name: (4-methoxyphenyl)methyl (2S,4R)-2-(hydroxymethyl)-4-methylsulfonyloxy-pyrrolidine-1-carboxylate; 4-methylbenzenesulfonic acid Openeye Name: (4-methoxyphenyl)methyl (2S,4R)-2-(hydroxymethyl)-4-methylsulfonyloxy-pyrrolidine-1-carboxylate; 4-methylbenzenesulfonic acid CAS Name: (2S,4R)-2-(hydroxymethyl)-4-methylsulfonyloxy-1-pyrrolidinecarboxylic acid (4-methoxyphenyl)methyl ester; 4-methylbenzenesulfonic acid IUPAC Name: (4-methoxyphenyl)methyl (2S,4R)-2-(hydroxymethyl)-4-methylsulfonyloxypyrrolidine-1-carboxylate; 4-methylbenzenesulfonic acid Traditional Name: (2S,4R)-2-methylol-4-methylsulfonyloxy-pyrrolidine-1-carboxylic acid p-anisyl ester; tosylic acid Formula: C22H29NO10S2 MolecularWeight: 531.59636

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)O.COC1=CC=C(C=C1)COC(=O)N2CC(CC2CO)OS(=O)(=O)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)O.COC1=CC=C(C=C1)COC(=O)N2C[C@@H](C[C@H]2CO)OS(=O)(=O)C

InChI

InChI=1S/C15H21NO7S.C7H8O3S/c1-21-13-5-3-11(4-6-13)10-22-15(18)16-8-14(7-12(16)9-17)23-24(2,19)20;1-6-2-4-7(5-3-6)11(8,9)10/h3-6,12,14,17H,7-10H2,1-2H3;2-5H,1H3,(H,8,9,10)/t12-,14+;/m0./s1