(2-azanyl-2-oxidanylidene-ethyl) 1-pyridin-3-ylsulfonylpiperidine-4-carboxylate

Systemtic Name: (2-azanyl-2-oxidanylidene-ethyl) 1-pyridin-3-ylsulfonylpiperidine-4-carboxylate Openeye Name: (2-amino-2-oxo-ethyl) 1-(3-pyridylsulfonyl)piperidine-4-carboxylate CAS Name: 1-(3-pyridinylsulfonyl)-4-piperidinecarboxylic acid (2-amino-2-oxoethyl) ester IUPAC Name: (2-amino-2-oxoethyl) 1-pyridin-3-ylsulfonylpiperidine-4-carboxylate Traditional Name: 1-(3-pyridylsulfonyl)isonipecotic acid (2-amino-2-keto-ethyl) ester Formula: C13H17N3O5S MolecularWeight: 327.35618

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)OCC(=O)N)S(=O)(=O)C2=CN=CC=C2

Isomeric SMILES

C1CN(CCC1C(=O)OCC(=O)N)S(=O)(=O)C2=CN=CC=C2

InChI

InChI=1S/C13H17N3O5S/c14-12(17)9-21-13(18)10-3-6-16(7-4-10)22(19,20)11-2-1-5-15-8-11/h1-2,5,8,10H,3-4,6-7,9H2,(H2,14,17)