(2-benzamido-2-oxidanylidene-ethyl) (2R)-1-(2,1,3-benzothiadiazol-4-ylsulfonyl)piperidine-2-carboxylate

Systemtic Name: (2-benzamido-2-oxidanylidene-ethyl) (2R)-1-(2,1,3-benzothiadiazol-4-ylsulfonyl)piperidine-2-carboxylate Openeye Name: (2-benzamido-2-oxo-ethyl) (2R)-1-(2,1,3-benzothiadiazol-4-ylsulfonyl)piperidine-2-carboxylate CAS Name: (2R)-1-(2,1,3-benzothiadiazol-4-ylsulfonyl)-2-piperidinecarboxylic acid (2-benzamido-2-oxoethyl) ester IUPAC Name: (2-benzamido-2-oxoethyl) (2R)-1-(2,1,3-benzothiadiazol-4-ylsulfonyl)piperidine-2-carboxylate Traditional Name: (2R)-1-piazthiol-4-ylsulfonylpipecolinic acid (2-benzamido-2-keto-ethyl) ester Formula: C21H20N4O6S2 MolecularWeight: 488.5367

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C(C1)C(=O)OCC(=O)NC(=O)C2=CC=CC=C2)S(=O)(=O)C3=CC=CC4=NSN=C43

Isomeric SMILES

C1CCN([C@H](C1)C(=O)OCC(=O)NC(=O)C2=CC=CC=C2)S(=O)(=O)C3=CC=CC4=NSN=C43

InChI

InChI=1S/C21H20N4O6S2/c26-18(22-20(27)14-7-2-1-3-8-14)13-31-21(28)16-10-4-5-12-25(16)33(29,30)17-11-6-9-15-19(17)24-32-23-15/h1-3,6-9,11,16H,4-5,10,12-13H2,(H,22,26,27)/t16-/m1/s1