2-[2-[[4-(diethylsulfamoyl)phenyl]amino]-2-oxidanylidene-ethyl]sulfanylpyridine-3-carboxylic acid

Systemtic Name: 2-[2-[[4-(diethylsulfamoyl)phenyl]amino]-2-oxidanylidene-ethyl]sulfanylpyridine-3-carboxylic acid Openeye Name: 2-[2-[4-(diethylsulfamoyl)anilino]-2-oxo-ethyl]sulfanylpyridine-3-carboxylic acid CAS Name: 2-[[2-[4-(diethylsulfamoyl)anilino]-2-oxoethyl]thio]-3-pyridinecarboxylic acid IUPAC Name: 2-[2-[4-(diethylsulfamoyl)anilino]-2-oxoethyl]sulfanylpyridine-3-carboxylic acid Traditional Name: 2-[[2-[4-(diethylsulfamoyl)anilino]-2-keto-ethyl]thio]nicotinic acid Formula: C18H21N3O5S2 MolecularWeight: 423.50644

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=CC=C(C=C1)NC(=O)CSC2=C(C=CC=N2)C(=O)O

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CC=C(C=C1)NC(=O)CSC2=C(C=CC=N2)C(=O)O

InChI

InChI=1S/C18H21N3O5S2/c1-3-21(4-2)28(25,26)14-9-7-13(8-10-14)20-16(22)12-27-17-15(18(23)24)6-5-11-19-17/h5-11H,3-4,12H2,1-2H3,(H,20,22)(H,23,24)