methyl 6-[3-(4-ethanoyl-3-oxidanyl-2-propyl-phenoxy)propylsulfonyl]pyridine-3-carboxylate

Systemtic Name: methyl 6-[3-(4-ethanoyl-3-oxidanyl-2-propyl-phenoxy)propylsulfonyl]pyridine-3-carboxylate Openeye Name: methyl 6-[3-(4-acetyl-3-hydroxy-2-propyl-phenoxy)propylsulfonyl]pyridine-3-carboxylate CAS Name: 6-[3-(4-acetyl-3-hydroxy-2-propylphenoxy)propylsulfonyl]-3-pyridinecarboxylic acid methyl ester IUPAC Name: methyl 6-[3-(4-acetyl-3-hydroxy-2-propylphenoxy)propylsulfonyl]pyridine-3-carboxylate Traditional Name: 6-[3-(4-acetyl-3-hydroxy-2-propyl-phenoxy)propylsulfonyl]nicotinic acid methyl ester Formula: C21H25NO7S MolecularWeight: 435.4907

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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)C(=O)OC

Isomeric SMILES

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

InChI

InChI=1S/C21H25NO7S/c1-4-6-17-18(9-8-16(14(2)23)20(17)24)29-11-5-12-30(26,27)19-10-7-15(13-22-19)21(25)28-3/h7-10,13,24H,4-6,11-12H2,1-3H3