ethyl 4-[2-[5-(diethylsulfamoyl)pyridin-2-yl]sulfanylethanoylamino]benzoate

Systemtic Name: ethyl 4-[2-[5-(diethylsulfamoyl)pyridin-2-yl]sulfanylethanoylamino]benzoate Openeye Name: ethyl 4-[[2-[[5-(diethylsulfamoyl)-2-pyridyl]sulfanyl]acetyl]amino]benzoate CAS Name: 4-[[2-[[5-(diethylsulfamoyl)-2-pyridinyl]thio]-1-oxoethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[2-[5-(diethylsulfamoyl)pyridin-2-yl]sulfanylacetyl]amino]benzoate Traditional Name: 4-[[2-[[5-(diethylsulfamoyl)-2-pyridyl]thio]acetyl]amino]benzoic acid ethyl ester Formula: C20H25N3O5S2 MolecularWeight: 451.5596

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=CN=C(C=C1)SCC(=O)NC2=CC=C(C=C2)C(=O)OCC

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CN=C(C=C1)SCC(=O)NC2=CC=C(C=C2)C(=O)OCC

InChI

InChI=1S/C20H25N3O5S2/c1-4-23(5-2)30(26,27)17-11-12-19(21-13-17)29-14-18(24)22-16-9-7-15(8-10-16)20(25)28-6-3/h7-13H,4-6,14H2,1-3H3,(H,22,24)