2-[4-[4-(3-ethoxyphenyl)-3-methyl-phenyl]piperidin-1-yl]sulfonyl-2-methyl-propanoic acid

Systemtic Name: 2-[4-[4-(3-ethoxyphenyl)-3-methyl-phenyl]piperidin-1-yl]sulfonyl-2-methyl-propanoic acid Openeye Name: 2-[[4-[4-(3-ethoxyphenyl)-3-methyl-phenyl]-1-piperidyl]sulfonyl]-2-methyl-propanoic acid CAS Name: 2-[[4-[4-(3-ethoxyphenyl)-3-methylphenyl]-1-piperidinyl]sulfonyl]-2-methylpropanoic acid IUPAC Name: 2-[4-[4-(3-ethoxyphenyl)-3-methylphenyl]piperidin-1-yl]sulfonyl-2-methylpropanoic acid Traditional Name: 2-methyl-2-[4-(3-methyl-4-m-phenetyl-phenyl)piperidino]sulfonyl-propionic acid Formula: C24H31NO5S MolecularWeight: 445.57164

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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)C(C)(C)C(=O)O)C

Isomeric SMILES

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

InChI

InChI=1S/C24H31NO5S/c1-5-30-21-8-6-7-20(16-21)22-10-9-19(15-17(22)2)18-11-13-25(14-12-18)31(28,29)24(3,4)23(26)27/h6-10,15-16,18H,5,11-14H2,1-4H3,(H,26,27)