1-[(3-methoxyphenyl)methyl]-4-[(4-phenoxyphenyl)sulfonylmethyl]piperidine-4-carboxylic acid

Systemtic Name: 1-[(3-methoxyphenyl)methyl]-4-[(4-phenoxyphenyl)sulfonylmethyl]piperidine-4-carboxylic acid Openeye Name: 1-[(3-methoxyphenyl)methyl]-4-[(4-phenoxyphenyl)sulfonylmethyl]piperidine-4-carboxylic acid CAS Name: 1-[(3-methoxyphenyl)methyl]-4-[(4-phenoxyphenyl)sulfonylmethyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[(3-methoxyphenyl)methyl]-4-[(4-phenoxyphenyl)sulfonylmethyl]piperidine-4-carboxylic acid Traditional Name: 1-m-anisyl-4-[(4-phenoxyphenyl)sulfonylmethyl]isonipecotic acid Formula: C27H29NO6S MolecularWeight: 495.58726

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)CN2CCC(CC2)(CS(=O)(=O)C3=CC=C(C=C3)OC4=CC=CC=C4)C(=O)O

Isomeric SMILES

COC1=CC=CC(=C1)CN2CCC(CC2)(CS(=O)(=O)C3=CC=C(C=C3)OC4=CC=CC=C4)C(=O)O

InChI

InChI=1S/C27H29NO6S/c1-33-24-9-5-6-21(18-24)19-28-16-14-27(15-17-28,26(29)30)20-35(31,32)25-12-10-23(11-13-25)34-22-7-3-2-4-8-22/h2-13,18H,14-17,19-20H2,1H3,(H,29,30)