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

Systemtic Name: 2-iodanyl-4-(4-methoxyphenyl)sulfonyl-1-(3-phenylpropyl)piperidine-4-carboxylic acid Openeye Name: 2-iodo-4-(4-methoxyphenyl)sulfonyl-1-(3-phenylpropyl)piperidine-4-carboxylic acid CAS Name: 2-iodo-4-(4-methoxyphenyl)sulfonyl-1-(3-phenylpropyl)-4-piperidinecarboxylic acid IUPAC Name: 2-iodo-4-(4-methoxyphenyl)sulfonyl-1-(3-phenylpropyl)piperidine-4-carboxylic acid Traditional Name: 2-iodo-4-(4-methoxyphenyl)sulfonyl-1-(3-phenylpropyl)isonipecotic acid Formula: C22H26INO5S MolecularWeight: 543.41501

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H26INO5S/c1-29-18-9-11-19(12-10-18)30(27,28)22(21(25)26)13-15-24(20(23)16-22)14-5-8-17-6-3-2-4-7-17/h2-4,6-7,9-12,20H,5,8,13-16H2,1H3,(H,25,26)