[2-[[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]amino]-2-oxidanylidene-ethyl] 2-methylsulfanylpyridine-3-carboxylate

Systemtic Name: [2-[[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]amino]-2-oxidanylidene-ethyl] 2-methylsulfanylpyridine-3-carboxylate Openeye Name: [2-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)anilino]-2-oxo-ethyl] 2-methylsulfanylpyridine-3-carboxylate CAS Name: 2-(methylthio)-3-pyridinecarboxylic acid [2-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)anilino]-2-oxoethyl] 2-methylsulfanylpyridine-3-carboxylate Traditional Name: 2-(methylthio)nicotinic acid [2-keto-2-[3-(1-pyrrolin-2-ylsulfamoyl)anilino]ethyl] ester Formula: C19H20N4O5S2 MolecularWeight: 448.5159

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(C=CC=N1)C(=O)OCC(=O)NC2=CC(=CC=C2)S(=O)(=O)NC3=NCCC3

Isomeric SMILES

CSC1=C(C=CC=N1)C(=O)OCC(=O)NC2=CC(=CC=C2)S(=O)(=O)NC3=NCCC3

InChI

InChI=1S/C19H20N4O5S2/c1-29-18-15(7-3-10-21-18)19(25)28-12-17(24)22-13-5-2-6-14(11-13)30(26,27)23-16-8-4-9-20-16/h2-3,5-7,10-11H,4,8-9,12H2,1H3,(H,20,23)(H,22,24)