(4-azanylidene-3-cyano-2-oxidanylidene-pentyl) 1-thiophen-2-ylsulfonylpiperidine-4-carboxylate

Systemtic Name: (4-azanylidene-3-cyano-2-oxidanylidene-pentyl) 1-thiophen-2-ylsulfonylpiperidine-4-carboxylate Openeye Name: (3-cyano-4-imino-2-oxo-pentyl) 1-(2-thienylsulfonyl)piperidine-4-carboxylate CAS Name: 1-thiophen-2-ylsulfonyl-4-piperidinecarboxylic acid (3-cyano-4-imino-2-oxopentyl) ester IUPAC Name: (3-cyano-4-imino-2-oxopentyl) 1-thiophen-2-ylsulfonylpiperidine-4-carboxylate Traditional Name: 1-(2-thienylsulfonyl)isonipecotic acid (3-cyano-4-imino-2-keto-pentyl) ester Formula: C16H19N3O5S2 MolecularWeight: 397.46916

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Descriptors Computed from Structure

Canonical SMILES:

CC(=N)C(C#N)C(=O)COC(=O)C1CCN(CC1)S(=O)(=O)C2=CC=CS2

Isomeric SMILES

CC(=N)C(C#N)C(=O)COC(=O)C1CCN(CC1)S(=O)(=O)C2=CC=CS2

InChI

InChI=1S/C16H19N3O5S2/c1-11(18)13(9-17)14(20)10-24-16(21)12-4-6-19(7-5-12)26(22,23)15-3-2-8-25-15/h2-3,8,12-13,18H,4-7,10H2,1H3