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

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

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

Canonical SMILES:

COC1=CC=C(C=C1)S(=O)(=O)C2(CCN(CC2)CCCOC3=CC=CC=C3)C(=O)O


Isomeric SMILES

COC1=CC=C(C=C1)S(=O)(=O)C2(CCN(CC2)CCCOC3=CC=CC=C3)C(=O)O


InChI

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


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