2-[4-[4-(5-ethoxypyridin-3-yl)-3-methyl-phenyl]piperidin-1-yl]sulfonyl-2-methyl-propanoic acid

Systemtic Name: 2-[4-[4-(5-ethoxypyridin-3-yl)-3-methyl-phenyl]piperidin-1-yl]sulfonyl-2-methyl-propanoic acid Openeye Name: 2-[[4-[4-(5-ethoxy-3-pyridyl)-3-methyl-phenyl]-1-piperidyl]sulfonyl]-2-methyl-propanoic acid CAS Name: 2-[[4-[4-(5-ethoxy-3-pyridinyl)-3-methylphenyl]-1-piperidinyl]sulfonyl]-2-methylpropanoic acid IUPAC Name: 2-[4-[4-(5-ethoxypyridin-3-yl)-3-methylphenyl]piperidin-1-yl]sulfonyl-2-methylpropanoic acid Traditional Name: 2-[4-[4-(5-ethoxy-3-pyridyl)-3-methyl-phenyl]piperidino]sulfonyl-2-methyl-propionic acid Formula: C23H30N2O5S MolecularWeight: 446.5597

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H30N2O5S/c1-5-30-20-13-19(14-24-15-20)21-7-6-18(12-16(21)2)17-8-10-25(11-9-17)31(28,29)23(3,4)22(26)27/h6-7,12-15,17H,5,8-11H2,1-4H3,(H,26,27)