1-[4-(1,3-benzodioxol-5-ylmethoxy)phenyl]sulfonyl-4-oxidanyl-piperidine-2-carboxylic acid

Systemtic Name: 1-[4-(1,3-benzodioxol-5-ylmethoxy)phenyl]sulfonyl-4-oxidanyl-piperidine-2-carboxylic acid Openeye Name: 1-[4-(1,3-benzodioxol-5-ylmethoxy)phenyl]sulfonyl-4-hydroxy-piperidine-2-carboxylic acid CAS Name: 1-[4-(1,3-benzodioxol-5-ylmethoxy)phenyl]sulfonyl-4-hydroxy-2-piperidinecarboxylic acid IUPAC Name: 1-[4-(1,3-benzodioxol-5-ylmethoxy)phenyl]sulfonyl-4-hydroxypiperidine-2-carboxylic acid Traditional Name: 4-hydroxy-1-(4-piperonyloxyphenyl)sulfonyl-pipecolinic acid Formula: C20H21NO8S MolecularWeight: 435.44764

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(CC1O)C(=O)O)S(=O)(=O)C2=CC=C(C=C2)OCC3=CC4=C(C=C3)OCO4

Isomeric SMILES

C1CN(C(CC1O)C(=O)O)S(=O)(=O)C2=CC=C(C=C2)OCC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C20H21NO8S/c22-14-7-8-21(17(10-14)20(23)24)30(25,26)16-4-2-15(3-5-16)27-11-13-1-6-18-19(9-13)29-12-28-18/h1-6,9,14,17,22H,7-8,10-12H2,(H,23,24)