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

Systemtic Name: (3-nitrophenyl)methyl 1-(2,1,3-benzothiadiazol-4-ylsulfonyl)piperidine-2-carboxylate Openeye Name: (3-nitrophenyl)methyl 1-(2,1,3-benzothiadiazol-4-ylsulfonyl)piperidine-2-carboxylate CAS Name: 1-(2,1,3-benzothiadiazol-4-ylsulfonyl)-2-piperidinecarboxylic acid (3-nitrophenyl)methyl ester IUPAC Name: (3-nitrophenyl)methyl 1-(2,1,3-benzothiadiazol-4-ylsulfonyl)piperidine-2-carboxylate Traditional Name: 1-piazthiol-4-ylsulfonylpipecolinic acid (3-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(C1)C(=O)OCC2=CC(=CC=C2)[N+](=O)[O-])S(=O)(=O)C3=CC=CC4=NSN=C43

InChI

InChI=1S/C19H18N4O6S2/c24-19(29-12-13-5-3-6-14(11-13)23(25)26)16-8-1-2-10-22(16)31(27,28)17-9-4-7-15-18(17)21-30-20-15/h3-7,9,11,16H,1-2,8,10,12H2