2-[2-oxidanylidene-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl]sulfanylpyridine-3-carboxylic acid

Systemtic Name: 2-[2-oxidanylidene-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl]sulfanylpyridine-3-carboxylic acid Openeye Name: 2-[2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl]sulfanylpyridine-3-carboxylic acid CAS Name: 2-[[2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl]thio]-3-pyridinecarboxylic acid IUPAC Name: 2-[2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl]sulfanylpyridine-3-carboxylic acid Traditional Name: 2-[[2-keto-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl]thio]nicotinic acid Formula: C16H17N3O5S2 MolecularWeight: 395.45328

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(N=C1)SCC(=O)NCCC2=CC=C(C=C2)S(=O)(=O)N)C(=O)O

Isomeric SMILES

C1=CC(=C(N=C1)SCC(=O)NCCC2=CC=C(C=C2)S(=O)(=O)N)C(=O)O

InChI

InChI=1S/C16H17N3O5S2/c17-26(23,24)12-5-3-11(4-6-12)7-9-18-14(20)10-25-15-13(16(21)22)2-1-8-19-15/h1-6,8H,7,9-10H2,(H,18,20)(H,21,22)(H2,17,23,24)