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

Systemtic Name: 4-(2-methoxyphenyl)sulfonyl-1-(3-phenoxypropyl)piperidine-4-carboxylic acid Openeye Name: 4-(2-methoxyphenyl)sulfonyl-1-(3-phenoxypropyl)piperidine-4-carboxylic acid CAS Name: 4-(2-methoxyphenyl)sulfonyl-1-(3-phenoxypropyl)-4-piperidinecarboxylic acid IUPAC Name: 4-(2-methoxyphenyl)sulfonyl-1-(3-phenoxypropyl)piperidine-4-carboxylic acid Traditional Name: 4-(2-methoxyphenyl)sulfonyl-1-(3-phenoxypropyl)isonipecotic acid Formula: C22H27NO6S MolecularWeight: 433.51788

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1S(=O)(=O)C2(CCN(CC2)CCCOC3=CC=CC=C3)C(=O)O

Isomeric SMILES

COC1=CC=CC=C1S(=O)(=O)C2(CCN(CC2)CCCOC3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C22H27NO6S/c1-28-19-10-5-6-11-20(19)30(26,27)22(21(24)25)12-15-23(16-13-22)14-7-17-29-18-8-3-2-4-9-18/h2-6,8-11H,7,12-17H2,1H3,(H,24,25)