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

Systemtic Name: (2-nitrophenyl)methyl (2R)-1-(2,1,3-benzothiadiazol-4-ylsulfonyl)piperidine-2-carboxylate Openeye Name: (2-nitrophenyl)methyl (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-nitrophenyl)methyl ester IUPAC Name: (2-nitrophenyl)methyl (2R)-1-(2,1,3-benzothiadiazol-4-ylsulfonyl)piperidine-2-carboxylate Traditional Name: (2R)-1-piazthiol-4-ylsulfonylpipecolinic acid (2-nitrobenzyl) ester Formula: C19H18N4O6S2 MolecularWeight: 462.49942

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C(C1)C(=O)OCC2=CC=CC=C2[N+](=O)[O-])S(=O)(=O)C3=CC=CC4=NSN=C43

Isomeric SMILES

C1CCN([C@H](C1)C(=O)OCC2=CC=CC=C2[N+](=O)[O-])S(=O)(=O)C3=CC=CC4=NSN=C43

InChI

InChI=1S/C19H18N4O6S2/c24-19(29-12-13-6-1-2-8-15(13)23(25)26)16-9-3-4-11-22(16)31(27,28)17-10-5-7-14-18(17)21-30-20-14/h1-2,5-8,10,16H,3-4,9,11-12H2/t16-/m1/s1