methyl (2S)-1-[2-(2,1,3-benzothiadiazol-4-ylsulfonylamino)-4-chloranyl-phenyl]carbonylpyrrolidine-2-carboxylate

Systemtic Name: methyl (2S)-1-[2-(2,1,3-benzothiadiazol-4-ylsulfonylamino)-4-chloranyl-phenyl]carbonylpyrrolidine-2-carboxylate Openeye Name: methyl (2S)-1-[2-(2,1,3-benzothiadiazol-4-ylsulfonylamino)-4-chloro-benzoyl]pyrrolidine-2-carboxylate CAS Name: (2S)-1-[[2-(2,1,3-benzothiadiazol-4-ylsulfonylamino)-4-chlorophenyl]-oxomethyl]-2-pyrrolidinecarboxylic acid methyl ester IUPAC Name: methyl (2S)-1-[2-(2,1,3-benzothiadiazol-4-ylsulfonylamino)-4-chlorobenzoyl]pyrrolidine-2-carboxylate Traditional Name: (2S)-1-[4-chloro-2-(piazthiol-4-ylsulfonylamino)benzoyl]pyrrolidine-2-carboxylic acid methyl ester Formula: C19H17ClN4O5S2 MolecularWeight: 480.94508

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CCCN1C(=O)C2=C(C=C(C=C2)Cl)NS(=O)(=O)C3=CC=CC4=NSN=C43

Isomeric SMILES

COC(=O)[C@@H]1CCCN1C(=O)C2=C(C=C(C=C2)Cl)NS(=O)(=O)C3=CC=CC4=NSN=C43

InChI

InChI=1S/C19H17ClN4O5S2/c1-29-19(26)15-5-3-9-24(15)18(25)12-8-7-11(20)10-14(12)23-31(27,28)16-6-2-4-13-17(16)22-30-21-13/h2,4,6-8,10,15,23H,3,5,9H2,1H3/t15-/m0/s1