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

Systemtic Name: methyl 2-[4-[4-(3-ethoxyphenyl)-3-methyl-phenyl]piperidin-1-yl]sulfonylethanoate Openeye Name: methyl 2-[[4-[4-(3-ethoxyphenyl)-3-methyl-phenyl]-1-piperidyl]sulfonyl]acetate CAS Name: 2-[[4-[4-(3-ethoxyphenyl)-3-methylphenyl]-1-piperidinyl]sulfonyl]acetic acid methyl ester IUPAC Name: methyl 2-[4-[4-(3-ethoxyphenyl)-3-methylphenyl]piperidin-1-yl]sulfonylacetate Traditional Name: 2-[4-(3-methyl-4-m-phenetyl-phenyl)piperidino]sulfonylacetic acid methyl ester Formula: C23H29NO5S MolecularWeight: 431.54506

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC(=C1)C2=C(C=C(C=C2)C3CCN(CC3)S(=O)(=O)CC(=O)OC)C

Isomeric SMILES

CCOC1=CC=CC(=C1)C2=C(C=C(C=C2)C3CCN(CC3)S(=O)(=O)CC(=O)OC)C

InChI

InChI=1S/C23H29NO5S/c1-4-29-21-7-5-6-20(15-21)22-9-8-19(14-17(22)2)18-10-12-24(13-11-18)30(26,27)16-23(25)28-3/h5-9,14-15,18H,4,10-13,16H2,1-3H3