2-(cyclohexylmethyl)-2-(4-methoxyphenyl)sulfonyl-3-pyridin-3-yl-propanoic acid

Systemtic Name: 2-(cyclohexylmethyl)-2-(4-methoxyphenyl)sulfonyl-3-pyridin-3-yl-propanoic acid Openeye Name: 2-(cyclohexylmethyl)-2-(4-methoxyphenyl)sulfonyl-3-(3-pyridyl)propanoic acid CAS Name: 2-(cyclohexylmethyl)-2-(4-methoxyphenyl)sulfonyl-3-(3-pyridinyl)propanoic acid IUPAC Name: 2-(cyclohexylmethyl)-2-(4-methoxyphenyl)sulfonyl-3-pyridin-3-ylpropanoic acid Traditional Name: 2-(cyclohexylmethyl)-2-(4-methoxyphenyl)sulfonyl-3-(3-pyridyl)propionic acid Formula: C22H27NO5S MolecularWeight: 417.51848

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)S(=O)(=O)C(CC2CCCCC2)(CC3=CN=CC=C3)C(=O)O

Isomeric SMILES

COC1=CC=C(C=C1)S(=O)(=O)C(CC2CCCCC2)(CC3=CN=CC=C3)C(=O)O

InChI

InChI=1S/C22H27NO5S/c1-28-19-9-11-20(12-10-19)29(26,27)22(21(24)25,14-17-6-3-2-4-7-17)15-18-8-5-13-23-16-18/h5,8-13,16-17H,2-4,6-7,14-15H2,1H3,(H,24,25)