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

Systemtic Name: [2-oxidanylidene-2-(4-pyrrolidin-1-ylsulfonylphenyl)ethyl] 1-oxidanidylpyridin-1-ium-4-carboxylate Openeye Name: [2-oxo-2-(4-pyrrolidin-1-ylsulfonylphenyl)ethyl] 1-oxidopyridin-1-ium-4-carboxylate CAS Name: 1-oxido-4-pyridin-1-iumcarboxylic acid [2-oxo-2-[4-(1-pyrrolidinylsulfonyl)phenyl]ethyl] ester IUPAC Name: [2-oxo-2-(4-pyrrolidin-1-ylsulfonylphenyl)ethyl] 1-oxidopyridin-1-ium-4-carboxylate Traditional Name: 1-oxidopyridin-1-ium-4-carboxylic acid [2-keto-2-(4-pyrrolidinosulfonylphenyl)ethyl] ester Formula: C18H18N2O6S MolecularWeight: 390.41032

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)COC(=O)C3=CC=[N+](C=C3)[O-]

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)COC(=O)C3=CC=[N+](C=C3)[O-]

InChI

InChI=1S/C18H18N2O6S/c21-17(13-26-18(22)15-7-11-19(23)12-8-15)14-3-5-16(6-4-14)27(24,25)20-9-1-2-10-20/h3-8,11-12H,1-2,9-10,13H2