(2S,3R)-1-(3,4-dimethoxyphenyl)sulfonylpiperidine-2,3-dicarboxylic acid

Systemtic Name: (2S,3R)-1-(3,4-dimethoxyphenyl)sulfonylpiperidine-2,3-dicarboxylic acid Openeye Name: (2S,3R)-1-(3,4-dimethoxyphenyl)sulfonylpiperidine-2,3-dicarboxylic acid CAS Name: (2S,3R)-1-(3,4-dimethoxyphenyl)sulfonylpiperidine-2,3-dicarboxylic acid IUPAC Name: (2S,3R)-1-(3,4-dimethoxyphenyl)sulfonylpiperidine-2,3-dicarboxylic acid Traditional Name: (2S,3R)-1-(3,4-dimethoxyphenyl)sulfonylpiperidine-2,3-dicarboxylic acid Formula: C15H19NO8S MolecularWeight: 373.37826

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)N2CCCC(C2C(=O)O)C(=O)O)OC

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N2CCC[C@H]([C@H]2C(=O)O)C(=O)O)OC

InChI

InChI=1S/C15H19NO8S/c1-23-11-6-5-9(8-12(11)24-2)25(21,22)16-7-3-4-10(14(17)18)13(16)15(19)20/h5-6,8,10,13H,3-4,7H2,1-2H3,(H,17,18)(H,19,20)/t10-,13+/m1/s1