1-phenethyl-4-[(4-phenoxyphenyl)sulfonylmethyl]piperidine-4-carboxylic acid

Systemtic Name: 1-phenethyl-4-[(4-phenoxyphenyl)sulfonylmethyl]piperidine-4-carboxylic acid Openeye Name: 1-phenethyl-4-[(4-phenoxyphenyl)sulfonylmethyl]piperidine-4-carboxylic acid CAS Name: 1-phenethyl-4-[(4-phenoxyphenyl)sulfonylmethyl]-4-piperidinecarboxylic acid IUPAC Name: 1-phenethyl-4-[(4-phenoxyphenyl)sulfonylmethyl]piperidine-4-carboxylic acid Traditional Name: 1-phenethyl-4-[(4-phenoxyphenyl)sulfonylmethyl]isonipecotic acid Formula: C27H29NO5S MolecularWeight: 479.58786

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1(CS(=O)(=O)C2=CC=C(C=C2)OC3=CC=CC=C3)C(=O)O)CCC4=CC=CC=C4

Isomeric SMILES

C1CN(CCC1(CS(=O)(=O)C2=CC=C(C=C2)OC3=CC=CC=C3)C(=O)O)CCC4=CC=CC=C4

InChI

InChI=1S/C27H29NO5S/c29-26(30)27(16-19-28(20-17-27)18-15-22-7-3-1-4-8-22)21-34(31,32)25-13-11-24(12-14-25)33-23-9-5-2-6-10-23/h1-14H,15-21H2,(H,29,30)