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

Systemtic Name: [2-[(2-methoxy-4-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 1-(2,1,3-benzothiadiazol-4-ylsulfonyl)piperidine-2-carboxylate Openeye Name: [2-(2-methoxy-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-methoxy-4-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-methoxy-4-nitroanilino)-2-oxoethyl] 1-(2,1,3-benzothiadiazol-4-ylsulfonyl)piperidine-2-carboxylate Traditional Name: 1-piazthiol-4-ylsulfonylpipecolinic acid [2-keto-2-(2-methoxy-4-nitro-anilino)ethyl] ester Formula: C21H21N5O8S2 MolecularWeight: 535.55014

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)[N+](=O)[O-])NC(=O)COC(=O)C2CCCCN2S(=O)(=O)C3=CC=CC4=NSN=C43

Isomeric SMILES

COC1=C(C=CC(=C1)[N+](=O)[O-])NC(=O)COC(=O)C2CCCCN2S(=O)(=O)C3=CC=CC4=NSN=C43

InChI

InChI=1S/C21H21N5O8S2/c1-33-17-11-13(26(29)30)8-9-14(17)22-19(27)12-34-21(28)16-6-2-3-10-25(16)36(31,32)18-7-4-5-15-20(18)24-35-23-15/h4-5,7-9,11,16H,2-3,6,10,12H2,1H3,(H,22,27)