[2-oxidanylidene-2-[(4-piperidin-1-ylsulfonylphenyl)amino]ethyl] 1-oxidanidylpyridin-1-ium-2-carboxylate

Systemtic Name: [2-oxidanylidene-2-[(4-piperidin-1-ylsulfonylphenyl)amino]ethyl] 1-oxidanidylpyridin-1-ium-2-carboxylate Openeye Name: [2-oxo-2-[4-(1-piperidylsulfonyl)anilino]ethyl] 1-oxidopyridin-1-ium-2-carboxylate CAS Name: 1-oxido-2-pyridin-1-iumcarboxylic acid [2-oxo-2-[4-(1-piperidinylsulfonyl)anilino]ethyl] ester IUPAC Name: [2-oxo-2-(4-piperidin-1-ylsulfonylanilino)ethyl] 1-oxidopyridin-1-ium-2-carboxylate Traditional Name: 1-oxidopyridin-1-ium-2-carboxylic acid [2-keto-2-(4-piperidinosulfonylanilino)ethyl] ester Formula: C19H21N3O6S MolecularWeight: 419.45154

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)COC(=O)C3=CC=CC=[N+]3[O-]

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)COC(=O)C3=CC=CC=[N+]3[O-]

InChI

InChI=1S/C19H21N3O6S/c23-18(14-28-19(24)17-6-2-5-13-22(17)25)20-15-7-9-16(10-8-15)29(26,27)21-11-3-1-4-12-21/h2,5-10,13H,1,3-4,11-12,14H2,(H,20,23)