methyl 2-[6-[3-(4-ethanoyl-3-oxidanyl-2-propyl-phenoxy)propylsulfonyl]pyridin-3-yl]ethanoate

Systemtic Name: methyl 2-[6-[3-(4-ethanoyl-3-oxidanyl-2-propyl-phenoxy)propylsulfonyl]pyridin-3-yl]ethanoate Openeye Name: methyl 2-[6-[3-(4-acetyl-3-hydroxy-2-propyl-phenoxy)propylsulfonyl]-3-pyridyl]acetate CAS Name: 2-[6-[3-(4-acetyl-3-hydroxy-2-propylphenoxy)propylsulfonyl]-3-pyridinyl]acetic acid methyl ester IUPAC Name: methyl 2-[6-[3-(4-acetyl-3-hydroxy-2-propylphenoxy)propylsulfonyl]pyridin-3-yl]acetate Traditional Name: 2-[6-[3-(4-acetyl-3-hydroxy-2-propyl-phenoxy)propylsulfonyl]-3-pyridyl]acetic acid methyl ester Formula: C22H27NO7S MolecularWeight: 449.51728

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=CC(=C1O)C(=O)C)OCCCS(=O)(=O)C2=NC=C(C=C2)CC(=O)OC

Isomeric SMILES

CCCC1=C(C=CC(=C1O)C(=O)C)OCCCS(=O)(=O)C2=NC=C(C=C2)CC(=O)OC

InChI

InChI=1S/C22H27NO7S/c1-4-6-18-19(9-8-17(15(2)24)22(18)26)30-11-5-12-31(27,28)20-10-7-16(14-23-20)13-21(25)29-3/h7-10,14,26H,4-6,11-13H2,1-3H3