6-[3-(4-ethanoyl-2-methoxy-phenoxy)-2-oxidanyl-propyl]sulfanyl-N,N-diethyl-pyridine-3-sulfonamide

Systemtic Name: 6-[3-(4-ethanoyl-2-methoxy-phenoxy)-2-oxidanyl-propyl]sulfanyl-N,N-diethyl-pyridine-3-sulfonamide Openeye Name: 6-[3-(4-acetyl-2-methoxy-phenoxy)-2-hydroxy-propyl]sulfanyl-N,N-diethyl-pyridine-3-sulfonamide CAS Name: 6-[[3-(4-acetyl-2-methoxyphenoxy)-2-hydroxypropyl]thio]-N,N-diethyl-3-pyridinesulfonamide IUPAC Name: 6-[3-(4-acetyl-2-methoxyphenoxy)-2-hydroxypropyl]sulfanyl-N,N-diethylpyridine-3-sulfonamide Traditional Name: 6-[[3-(4-acetyl-2-methoxy-phenoxy)-2-hydroxy-propyl]thio]-N,N-diethyl-pyridine-3-sulfonamide Formula: C21H28N2O6S2 MolecularWeight: 468.58682

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=CN=C(C=C1)SCC(COC2=C(C=C(C=C2)C(=O)C)OC)O

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CN=C(C=C1)SCC(COC2=C(C=C(C=C2)C(=O)C)OC)O

InChI

InChI=1S/C21H28N2O6S2/c1-5-23(6-2)31(26,27)18-8-10-21(22-12-18)30-14-17(25)13-29-19-9-7-16(15(3)24)11-20(19)28-4/h7-12,17,25H,5-6,13-14H2,1-4H3