methyl 2-[4-[4-(3,5-dimethylphenoxy)phenoxy]piperidin-1-yl]sulfonylethanoate

Systemtic Name: methyl 2-[4-[4-(3,5-dimethylphenoxy)phenoxy]piperidin-1-yl]sulfonylethanoate Openeye Name: methyl 2-[[4-[4-(3,5-dimethylphenoxy)phenoxy]-1-piperidyl]sulfonyl]acetate CAS Name: 2-[[4-[4-(3,5-dimethylphenoxy)phenoxy]-1-piperidinyl]sulfonyl]acetic acid methyl ester IUPAC Name: methyl 2-[4-[4-(3,5-dimethylphenoxy)phenoxy]piperidin-1-yl]sulfonylacetate Traditional Name: 2-[4-[4-(3,5-dimethylphenoxy)phenoxy]piperidino]sulfonylacetic acid methyl ester Formula: C22H27NO6S MolecularWeight: 433.51788

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H27NO6S/c1-16-12-17(2)14-21(13-16)29-19-6-4-18(5-7-19)28-20-8-10-23(11-9-20)30(25,26)15-22(24)27-3/h4-7,12-14,20H,8-11,15H2,1-3H3