[2-oxidanylidene-2-[(4-sulfamoylphenyl)methylamino]ethyl] 2-phenylsulfanylpyridine-3-carboxylate

Systemtic Name: [2-oxidanylidene-2-[(4-sulfamoylphenyl)methylamino]ethyl] 2-phenylsulfanylpyridine-3-carboxylate Openeye Name: [2-oxo-2-[(4-sulfamoylphenyl)methylamino]ethyl] 2-phenylsulfanylpyridine-3-carboxylate CAS Name: 2-(phenylthio)-3-pyridinecarboxylic acid [2-oxo-2-[(4-sulfamoylphenyl)methylamino]ethyl] ester IUPAC Name: [2-oxo-2-[(4-sulfamoylphenyl)methylamino]ethyl] 2-phenylsulfanylpyridine-3-carboxylate Traditional Name: 2-(phenylthio)nicotinic acid [2-keto-2-[(4-sulfamoylbenzyl)amino]ethyl] ester Formula: C21H19N3O5S2 MolecularWeight: 457.52266

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)SC2=C(C=CC=N2)C(=O)OCC(=O)NCC3=CC=C(C=C3)S(=O)(=O)N

Isomeric SMILES

C1=CC=C(C=C1)SC2=C(C=CC=N2)C(=O)OCC(=O)NCC3=CC=C(C=C3)S(=O)(=O)N

InChI

InChI=1S/C21H19N3O5S2/c22-31(27,28)17-10-8-15(9-11-17)13-24-19(25)14-29-21(26)18-7-4-12-23-20(18)30-16-5-2-1-3-6-16/h1-12H,13-14H2,(H,24,25)(H2,22,27,28)