methyl 2-[4-[4-(3-methoxyphenyl)-3-methyl-phenyl]piperidin-1-yl]sulfonylethanoate

Systemtic Name: methyl 2-[4-[4-(3-methoxyphenyl)-3-methyl-phenyl]piperidin-1-yl]sulfonylethanoate Openeye Name: methyl 2-[[4-[4-(3-methoxyphenyl)-3-methyl-phenyl]-1-piperidyl]sulfonyl]acetate CAS Name: 2-[[4-[4-(3-methoxyphenyl)-3-methylphenyl]-1-piperidinyl]sulfonyl]acetic acid methyl ester IUPAC Name: methyl 2-[4-[4-(3-methoxyphenyl)-3-methylphenyl]piperidin-1-yl]sulfonylacetate Traditional Name: 2-[4-[4-(3-methoxyphenyl)-3-methyl-phenyl]piperidino]sulfonylacetic acid methyl ester Formula: C22H27NO5S MolecularWeight: 417.51848

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C2CCN(CC2)S(=O)(=O)CC(=O)OC)C3=CC(=CC=C3)OC

Isomeric SMILES

CC1=C(C=CC(=C1)C2CCN(CC2)S(=O)(=O)CC(=O)OC)C3=CC(=CC=C3)OC

InChI

InChI=1S/C22H27NO5S/c1-16-13-18(7-8-21(16)19-5-4-6-20(14-19)27-2)17-9-11-23(12-10-17)29(25,26)15-22(24)28-3/h4-8,13-14,17H,9-12,15H2,1-3H3