4-oxidanyl-1-(4-phenylmethoxyphenyl)sulfonyl-4-prop-2-enyl-piperidine-2-carboxylic acid

Systemtic Name: 4-oxidanyl-1-(4-phenylmethoxyphenyl)sulfonyl-4-prop-2-enyl-piperidine-2-carboxylic acid Openeye Name: 4-allyl-1-(4-benzyloxyphenyl)sulfonyl-4-hydroxy-piperidine-2-carboxylic acid CAS Name: 4-hydroxy-1-(4-phenylmethoxyphenyl)sulfonyl-4-prop-2-enyl-2-piperidinecarboxylic acid IUPAC Name: 4-hydroxy-1-(4-phenylmethoxyphenyl)sulfonyl-4-prop-2-enylpiperidine-2-carboxylic acid Traditional Name: 4-allyl-1-(4-benzoxyphenyl)sulfonyl-4-hydroxy-pipecolinic acid Formula: C22H25NO6S MolecularWeight: 431.502

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Descriptors Computed from Structure

Canonical SMILES:

C=CCC1(CCN(C(C1)C(=O)O)S(=O)(=O)C2=CC=C(C=C2)OCC3=CC=CC=C3)O

Isomeric SMILES

C=CCC1(CCN(C(C1)C(=O)O)S(=O)(=O)C2=CC=C(C=C2)OCC3=CC=CC=C3)O

InChI

InChI=1S/C22H25NO6S/c1-2-12-22(26)13-14-23(20(15-22)21(24)25)30(27,28)19-10-8-18(9-11-19)29-16-17-6-4-3-5-7-17/h2-11,20,26H,1,12-16H2,(H,24,25)