[2-[(2-cyano-4-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 1-(2,1,3-benzothiadiazol-4-ylsulfonyl)piperidine-2-carboxylate

Systemtic Name: [2-[(2-cyano-4-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 1-(2,1,3-benzothiadiazol-4-ylsulfonyl)piperidine-2-carboxylate Openeye Name: [2-(2-cyano-4-nitro-anilino)-2-oxo-ethyl] 1-(2,1,3-benzothiadiazol-4-ylsulfonyl)piperidine-2-carboxylate CAS Name: 1-(2,1,3-benzothiadiazol-4-ylsulfonyl)-2-piperidinecarboxylic acid [2-(2-cyano-4-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-cyano-4-nitroanilino)-2-oxoethyl] 1-(2,1,3-benzothiadiazol-4-ylsulfonyl)piperidine-2-carboxylate Traditional Name: 1-piazthiol-4-ylsulfonylpipecolinic acid [2-(2-cyano-4-nitro-anilino)-2-keto-ethyl] ester Formula: C21H18N6O7S2 MolecularWeight: 530.53362

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C(C1)C(=O)OCC(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])C#N)S(=O)(=O)C3=CC=CC4=NSN=C43

Isomeric SMILES

C1CCN(C(C1)C(=O)OCC(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])C#N)S(=O)(=O)C3=CC=CC4=NSN=C43

InChI

InChI=1S/C21H18N6O7S2/c22-11-13-10-14(27(30)31)7-8-15(13)23-19(28)12-34-21(29)17-5-1-2-9-26(17)36(32,33)18-6-3-4-16-20(18)25-35-24-16/h3-4,6-8,10,17H,1-2,5,9,12H2,(H,23,28)