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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)S(=O)(=O)C2CCN(C(C2)C(=O)O)CCOC3=CC=CC=C3

Isomeric SMILES

COC1=CC=C(C=C1)S(=O)(=O)C2CCN(C(C2)C(=O)O)CCOC3=CC=CC=C3

InChI

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