4-(4-methoxyphenyl)sulfonyl-1-(3-phenylpropyl)piperidine-4-carboxylic acid

Systemtic Name: 4-(4-methoxyphenyl)sulfonyl-1-(3-phenylpropyl)piperidine-4-carboxylic acid Openeye Name: 4-(4-methoxyphenyl)sulfonyl-1-(3-phenylpropyl)piperidine-4-carboxylic acid CAS Name: 4-(4-methoxyphenyl)sulfonyl-1-(3-phenylpropyl)-4-piperidinecarboxylic acid IUPAC Name: 4-(4-methoxyphenyl)sulfonyl-1-(3-phenylpropyl)piperidine-4-carboxylic acid Traditional Name: 4-(4-methoxyphenyl)sulfonyl-1-(3-phenylpropyl)isonipecotic acid Formula: C22H27NO5S MolecularWeight: 417.51848

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)S(=O)(=O)C2(CCN(CC2)CCCC3=CC=CC=C3)C(=O)O

Isomeric SMILES

COC1=CC=C(C=C1)S(=O)(=O)C2(CCN(CC2)CCCC3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C22H27NO5S/c1-28-19-9-11-20(12-10-19)29(26,27)22(21(24)25)13-16-23(17-14-22)15-5-8-18-6-3-2-4-7-18/h2-4,6-7,9-12H,5,8,13-17H2,1H3,(H,24,25)