3,4,5-tris(oxidanyl)-1-(4-phenoxyphenyl)sulfonyl-piperidine-2-carboxylic acid

Systemtic Name: 3,4,5-tris(oxidanyl)-1-(4-phenoxyphenyl)sulfonyl-piperidine-2-carboxylic acid Openeye Name: 3,4,5-trihydroxy-1-(4-phenoxyphenyl)sulfonyl-piperidine-2-carboxylic acid CAS Name: 3,4,5-trihydroxy-1-(4-phenoxyphenyl)sulfonyl-2-piperidinecarboxylic acid IUPAC Name: 3,4,5-trihydroxy-1-(4-phenoxyphenyl)sulfonylpiperidine-2-carboxylic acid Traditional Name: 3,4,5-trihydroxy-1-(4-phenoxyphenyl)sulfonyl-pipecolinic acid Formula: C18H19NO8S MolecularWeight: 409.41036

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(C(C(N1S(=O)(=O)C2=CC=C(C=C2)OC3=CC=CC=C3)C(=O)O)O)O)O

Isomeric SMILES

C1C(C(C(C(N1S(=O)(=O)C2=CC=C(C=C2)OC3=CC=CC=C3)C(=O)O)O)O)O

InChI

InChI=1S/C18H19NO8S/c20-14-10-19(15(18(23)24)17(22)16(14)21)28(25,26)13-8-6-12(7-9-13)27-11-4-2-1-3-5-11/h1-9,14-17,20-22H,10H2,(H,23,24)