1-[2-methyl-3-(4-methylphenyl)sulfonyloxy-propanoyl]pyrrolidine-2-carboxylic acid

Systemtic Name: 1-[2-methyl-3-(4-methylphenyl)sulfonyloxy-propanoyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-[2-methyl-3-(p-tolylsulfonyloxy)propanoyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[2-methyl-3-(4-methylphenyl)sulfonyloxy-1-oxopropyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[2-methyl-3-(4-methylphenyl)sulfonyloxypropanoyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-(2-methyl-3-tosyloxy-propanoyl)proline Formula: C16H21NO6S MolecularWeight: 355.40604

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCC(C)C(=O)N2CCCC2C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCC(C)C(=O)N2CCCC2C(=O)O

InChI

InChI=1S/C16H21NO6S/c1-11-5-7-13(8-6-11)24(21,22)23-10-12(2)15(18)17-9-3-4-14(17)16(19)20/h5-8,12,14H,3-4,9-10H2,1-2H3,(H,19,20)