4-(4-methoxyphenyl)sulfonyl-1-(2-phenoxyethyl)piperidine-4-carboxylic acid

Systemtic Name: 4-(4-methoxyphenyl)sulfonyl-1-(2-phenoxyethyl)piperidine-4-carboxylic acid Openeye Name: 4-(4-methoxyphenyl)sulfonyl-1-(2-phenoxyethyl)piperidine-4-carboxylic acid CAS Name: 4-(4-methoxyphenyl)sulfonyl-1-(2-phenoxyethyl)-4-piperidinecarboxylic acid IUPAC Name: 4-(4-methoxyphenyl)sulfonyl-1-(2-phenoxyethyl)piperidine-4-carboxylic acid Traditional Name: 4-(4-methoxyphenyl)sulfonyl-1-(2-phenoxyethyl)isonipecotic acid Formula: C21H25NO6S MolecularWeight: 419.4913

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)S(=O)(=O)C2(CCN(CC2)CCOC3=CC=CC=C3)C(=O)O

Isomeric SMILES

COC1=CC=C(C=C1)S(=O)(=O)C2(CCN(CC2)CCOC3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C21H25NO6S/c1-27-17-7-9-19(10-8-17)29(25,26)21(20(23)24)11-13-22(14-12-21)15-16-28-18-5-3-2-4-6-18/h2-10H,11-16H2,1H3,(H,23,24)