4-(4-phenylmethoxyphenyl)sulfonyl-1-(phenylmethyl)piperidine-4-carboxylic acid

Systemtic Name: 4-(4-phenylmethoxyphenyl)sulfonyl-1-(phenylmethyl)piperidine-4-carboxylic acid Openeye Name: 1-benzyl-4-(4-benzyloxyphenyl)sulfonyl-piperidine-4-carboxylic acid CAS Name: 4-(4-phenylmethoxyphenyl)sulfonyl-1-(phenylmethyl)-4-piperidinecarboxylic acid IUPAC Name: 1-benzyl-4-(4-phenylmethoxyphenyl)sulfonylpiperidine-4-carboxylic acid Traditional Name: 4-(4-benzoxyphenyl)sulfonyl-1-benzyl-isonipecotic acid Formula: C26H27NO5S MolecularWeight: 465.56128

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1(C(=O)O)S(=O)(=O)C2=CC=C(C=C2)OCC3=CC=CC=C3)CC4=CC=CC=C4

Isomeric SMILES

C1CN(CCC1(C(=O)O)S(=O)(=O)C2=CC=C(C=C2)OCC3=CC=CC=C3)CC4=CC=CC=C4

InChI

InChI=1S/C26H27NO5S/c28-25(29)26(15-17-27(18-16-26)19-21-7-3-1-4-8-21)33(30,31)24-13-11-23(12-14-24)32-20-22-9-5-2-6-10-22/h1-14H,15-20H2,(H,28,29)