(2R,4R)-1-(4-methoxyphenyl)sulfonyl-2-(phenylmethoxycarbamoyl)piperidine-4-carboxylic acid

Systemtic Name: (2R,4R)-1-(4-methoxyphenyl)sulfonyl-2-(phenylmethoxycarbamoyl)piperidine-4-carboxylic acid Openeye Name: (2R,4R)-2-(benzyloxycarbamoyl)-1-(4-methoxyphenyl)sulfonyl-piperidine-4-carboxylic acid CAS Name: (2R,4R)-1-(4-methoxyphenyl)sulfonyl-2-[oxo-(phenylmethoxyamino)methyl]-4-piperidinecarboxylic acid IUPAC Name: (2R,4R)-1-(4-methoxyphenyl)sulfonyl-2-(phenylmethoxycarbamoyl)piperidine-4-carboxylic acid Traditional Name: (2R,4R)-2-(benzoxycarbamoyl)-1-(4-methoxyphenyl)sulfonyl-isonipecotic acid Formula: C21H24N2O7S MolecularWeight: 448.48946

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2C(=O)NOCC3=CC=CC=C3)C(=O)O

Isomeric SMILES

COC1=CC=C(C=C1)S(=O)(=O)N2CC[C@H](C[C@@H]2C(=O)NOCC3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C21H24N2O7S/c1-29-17-7-9-18(10-8-17)31(27,28)23-12-11-16(21(25)26)13-19(23)20(24)22-30-14-15-5-3-2-4-6-15/h2-10,16,19H,11-14H2,1H3,(H,22,24)(H,25,26)/t16-,19-/m1/s1