ethyl 3-[4-[[2-(3-methylsulfinyl-4-oxidanyl-phenyl)-2-oxidanyl-ethyl]amino]butoxymethyl]pyridine-4-carboxylate

Systemtic Name: ethyl 3-[4-[[2-(3-methylsulfinyl-4-oxidanyl-phenyl)-2-oxidanyl-ethyl]amino]butoxymethyl]pyridine-4-carboxylate Openeye Name: ethyl 3-[4-[[2-hydroxy-2-(4-hydroxy-3-methylsulfinyl-phenyl)ethyl]amino]butoxymethyl]pyridine-4-carboxylate CAS Name: 3-[4-[[2-hydroxy-2-(4-hydroxy-3-methylsulfinylphenyl)ethyl]amino]butoxymethyl]-4-pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 3-[4-[[2-hydroxy-2-(4-hydroxy-3-methylsulfinylphenyl)ethyl]amino]butoxymethyl]pyridine-4-carboxylate Traditional Name: 3-[4-[[2-hydroxy-2-(4-hydroxy-3-methylsulfinyl-phenyl)ethyl]amino]butoxymethyl]isonicotinic acid ethyl ester Formula: C22H30N2O6S MolecularWeight: 450.5484

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C=NC=C1)COCCCCNCC(C2=CC(=C(C=C2)O)S(=O)C)O

Isomeric SMILES

CCOC(=O)C1=C(C=NC=C1)COCCCCNCC(C2=CC(=C(C=C2)O)S(=O)C)O

InChI

InChI=1S/C22H30N2O6S/c1-3-30-22(27)18-8-10-24-13-17(18)15-29-11-5-4-9-23-14-20(26)16-6-7-19(25)21(12-16)31(2)28/h6-8,10,12-13,20,23,25-26H,3-5,9,11,14-15H2,1-2H3