4-(4-methylphenyl)sulfonyloxy-2-piperidin-1-ylcarbonyl-pyrrolidine-1-carboxylic acid

Systemtic Name: 4-(4-methylphenyl)sulfonyloxy-2-piperidin-1-ylcarbonyl-pyrrolidine-1-carboxylic acid Openeye Name: 2-(piperidine-1-carbonyl)-4-(p-tolylsulfonyloxy)pyrrolidine-1-carboxylic acid CAS Name: 4-(4-methylphenyl)sulfonyloxy-2-[oxo(1-piperidinyl)methyl]-1-pyrrolidinecarboxylic acid IUPAC Name: 4-(4-methylphenyl)sulfonyloxy-2-(piperidine-1-carbonyl)pyrrolidine-1-carboxylic acid Traditional Name: 2-(piperidine-1-carbonyl)-4-tosyloxy-pyrrolidine-1-carboxylic acid Formula: C18H24N2O6S MolecularWeight: 396.45796

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2CC(N(C2)C(=O)O)C(=O)N3CCCCC3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2CC(N(C2)C(=O)O)C(=O)N3CCCCC3

InChI

InChI=1S/C18H24N2O6S/c1-13-5-7-15(8-6-13)27(24,25)26-14-11-16(20(12-14)18(22)23)17(21)19-9-3-2-4-10-19/h5-8,14,16H,2-4,9-12H2,1H3,(H,22,23)