4-[4-[4-(3,5-dimethylphenoxy)phenoxy]piperidin-1-yl]sulfonyloxane-4-carboxylic acid

Systemtic Name: 4-[4-[4-(3,5-dimethylphenoxy)phenoxy]piperidin-1-yl]sulfonyloxane-4-carboxylic acid Openeye Name: 4-[[4-[4-(3,5-dimethylphenoxy)phenoxy]-1-piperidyl]sulfonyl]tetrahydropyran-4-carboxylic acid CAS Name: 4-[[4-[4-(3,5-dimethylphenoxy)phenoxy]-1-piperidinyl]sulfonyl]-4-oxanecarboxylic acid IUPAC Name: 4-[4-[4-(3,5-dimethylphenoxy)phenoxy]piperidin-1-yl]sulfonyloxane-4-carboxylic acid Traditional Name: 4-[4-[4-(3,5-dimethylphenoxy)phenoxy]piperidino]sulfonyltetrahydropyran-4-carboxylic acid Formula: C25H31NO7S MolecularWeight: 489.58114

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)OC2=CC=C(C=C2)OC3CCN(CC3)S(=O)(=O)C4(CCOCC4)C(=O)O)C

Isomeric SMILES

CC1=CC(=CC(=C1)OC2=CC=C(C=C2)OC3CCN(CC3)S(=O)(=O)C4(CCOCC4)C(=O)O)C

InChI

InChI=1S/C25H31NO7S/c1-18-15-19(2)17-23(16-18)33-21-5-3-20(4-6-21)32-22-7-11-26(12-8-22)34(29,30)25(24(27)28)9-13-31-14-10-25/h3-6,15-17,22H,7-14H2,1-2H3,(H,27,28)