ethyl 4-[(6-oxidanylidene-1H-pyridin-3-yl)sulfonyl]piperazine-1-carboxylate

Systemtic Name: ethyl 4-[(6-oxidanylidene-1H-pyridin-3-yl)sulfonyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[(6-oxo-1H-pyridin-3-yl)sulfonyl]piperazine-1-carboxylate CAS Name: 4-[(6-oxo-1H-pyridin-3-yl)sulfonyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(6-oxo-1H-pyridin-3-yl)sulfonyl]piperazine-1-carboxylate Traditional Name: 4-[(6-keto-1H-pyridin-3-yl)sulfonyl]piperazine-1-carboxylic acid ethyl ester Formula: C12H17N3O5S MolecularWeight: 315.34548

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)S(=O)(=O)C2=CNC(=O)C=C2

Isomeric SMILES

CCOC(=O)N1CCN(CC1)S(=O)(=O)C2=CNC(=O)C=C2

InChI

InChI=1S/C12H17N3O5S/c1-2-20-12(17)14-5-7-15(8-6-14)21(18,19)10-3-4-11(16)13-9-10/h3-4,9H,2,5-8H2,1H3,(H,13,16)