cyanomethyl (2R)-1-(2,1,3-benzothiadiazol-4-ylsulfonyl)piperidine-2-carboxylate

Systemtic Name: cyanomethyl (2R)-1-(2,1,3-benzothiadiazol-4-ylsulfonyl)piperidine-2-carboxylate Openeye Name: cyanomethyl (2R)-1-(2,1,3-benzothiadiazol-4-ylsulfonyl)piperidine-2-carboxylate CAS Name: (2R)-1-(2,1,3-benzothiadiazol-4-ylsulfonyl)-2-piperidinecarboxylic acid cyanomethyl ester IUPAC Name: cyanomethyl (2R)-1-(2,1,3-benzothiadiazol-4-ylsulfonyl)piperidine-2-carboxylate Traditional Name: (2R)-1-piazthiol-4-ylsulfonylpipecolinic acid cyanomethyl ester Formula: C14H14N4O4S2 MolecularWeight: 366.41536

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C(C1)C(=O)OCC#N)S(=O)(=O)C2=CC=CC3=NSN=C32

Isomeric SMILES

C1CCN([C@H](C1)C(=O)OCC#N)S(=O)(=O)C2=CC=CC3=NSN=C32

InChI

InChI=1S/C14H14N4O4S2/c15-7-9-22-14(19)11-5-1-2-8-18(11)24(20,21)12-6-3-4-10-13(12)17-23-16-10/h3-4,6,11H,1-2,5,8-9H2/t11-/m1/s1