ethyl 4-[3-[5-(diethylsulfamoyl)pyridin-2-yl]sulfanyl-2-oxidanyl-propoxy]benzoate

Systemtic Name: ethyl 4-[3-[5-(diethylsulfamoyl)pyridin-2-yl]sulfanyl-2-oxidanyl-propoxy]benzoate Openeye Name: ethyl 4-[3-[[5-(diethylsulfamoyl)-2-pyridyl]sulfanyl]-2-hydroxy-propoxy]benzoate CAS Name: 4-[3-[[5-(diethylsulfamoyl)-2-pyridinyl]thio]-2-hydroxypropoxy]benzoic acid ethyl ester IUPAC Name: ethyl 4-[3-[5-(diethylsulfamoyl)pyridin-2-yl]sulfanyl-2-hydroxypropoxy]benzoate Traditional Name: 4-[3-[[5-(diethylsulfamoyl)-2-pyridyl]thio]-2-hydroxy-propoxy]benzoic acid ethyl ester 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=CC=C(C=C2)C(=O)OCC)O

Isomeric SMILES

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

InChI

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