1-cyclooctyl-4-(4-methoxyphenyl)sulfonyl-piperidine-4-carboxylic acid

Systemtic Name: 1-cyclooctyl-4-(4-methoxyphenyl)sulfonyl-piperidine-4-carboxylic acid Openeye Name: 1-cyclooctyl-4-(4-methoxyphenyl)sulfonyl-piperidine-4-carboxylic acid CAS Name: 1-cyclooctyl-4-(4-methoxyphenyl)sulfonyl-4-piperidinecarboxylic acid IUPAC Name: 1-cyclooctyl-4-(4-methoxyphenyl)sulfonylpiperidine-4-carboxylic acid Traditional Name: 1-cyclooctyl-4-(4-methoxyphenyl)sulfonyl-isonipecotic acid Formula: C21H31NO5S MolecularWeight: 409.53954

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)S(=O)(=O)C2(CCN(CC2)C3CCCCCCC3)C(=O)O

Isomeric SMILES

COC1=CC=C(C=C1)S(=O)(=O)C2(CCN(CC2)C3CCCCCCC3)C(=O)O

InChI

InChI=1S/C21H31NO5S/c1-27-18-9-11-19(12-10-18)28(25,26)21(20(23)24)13-15-22(16-14-21)17-7-5-3-2-4-6-8-17/h9-12,17H,2-8,13-16H2,1H3,(H,23,24)