4-phenylmethoxy-1-(phenylmethyl)-2-(phenylsulfonyl)piperidine-4-carboxylic acid

Systemtic Name: 4-phenylmethoxy-1-(phenylmethyl)-2-(phenylsulfonyl)piperidine-4-carboxylic acid Openeye Name: 2-(benzenesulfonyl)-1-benzyl-4-benzyloxy-piperidine-4-carboxylic acid CAS Name: 2-(benzenesulfonyl)-4-phenylmethoxy-1-(phenylmethyl)-4-piperidinecarboxylic acid IUPAC Name: 2-(benzenesulfonyl)-1-benzyl-4-phenylmethoxypiperidine-4-carboxylic acid Traditional Name: 4-benzoxy-1-benzyl-2-besyl-isonipecotic acid Formula: C26H27NO5S MolecularWeight: 465.56128

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(CC1(C(=O)O)OCC2=CC=CC=C2)S(=O)(=O)C3=CC=CC=C3)CC4=CC=CC=C4

Isomeric SMILES

C1CN(C(CC1(C(=O)O)OCC2=CC=CC=C2)S(=O)(=O)C3=CC=CC=C3)CC4=CC=CC=C4

InChI

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