ethyl 1-[2-[3-(methylsulfonylaminocarbamoyl)pyridin-1-ium-1-yl]ethanoyl]pyrrolidine-2-carboxylate

Systemtic Name: ethyl 1-[2-[3-(methylsulfonylaminocarbamoyl)pyridin-1-ium-1-yl]ethanoyl]pyrrolidine-2-carboxylate Openeye Name: ethyl 1-[2-[3-(methanesulfonamidocarbamoyl)pyridin-1-ium-1-yl]acetyl]pyrrolidine-2-carboxylate CAS Name: 1-[2-[3-[(methylsulfonylhydrazo)-oxomethyl]-1-pyridin-1-iumyl]-1-oxoethyl]-2-pyrrolidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[2-[3-(methanesulfonamidocarbamoyl)pyridin-1-ium-1-yl]acetyl]pyrrolidine-2-carboxylate Traditional Name: 1-[2-[3-(methanesulfonamidocarbamoyl)pyridin-1-ium-1-yl]acetyl]pyrrolidine-2-carboxylic acid ethyl ester Formula: C16H23N4O6S+ MolecularWeight: 399.44202

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN1C(=O)C[N+]2=CC=CC(=C2)C(=O)NNS(=O)(=O)C

Isomeric SMILES

CCOC(=O)C1CCCN1C(=O)C[N+]2=CC=CC(=C2)C(=O)NNS(=O)(=O)C

InChI

InChI=1S/C16H22N4O6S/c1-3-26-16(23)13-7-5-9-20(13)14(21)11-19-8-4-6-12(10-19)15(22)17-18-27(2,24)25/h4,6,8,10,13,18H,3,5,7,9,11H2,1-2H3/p+1