2-pyridin-2-ylethyl (2S)-1-(2,1,3-benzothiadiazol-4-ylsulfonyl)pyrrolidine-2-carboxylate

Systemtic Name: 2-pyridin-2-ylethyl (2S)-1-(2,1,3-benzothiadiazol-4-ylsulfonyl)pyrrolidine-2-carboxylate Openeye Name: 2-(2-pyridyl)ethyl (2S)-1-(2,1,3-benzothiadiazol-4-ylsulfonyl)pyrrolidine-2-carboxylate CAS Name: (2S)-1-(2,1,3-benzothiadiazol-4-ylsulfonyl)-2-pyrrolidinecarboxylic acid 2-(2-pyridinyl)ethyl ester IUPAC Name: 2-pyridin-2-ylethyl (2S)-1-(2,1,3-benzothiadiazol-4-ylsulfonyl)pyrrolidine-2-carboxylate Traditional Name: (2S)-1-piazthiol-4-ylsulfonylpyrrolidine-2-carboxylic acid 2-(2-pyridyl)ethyl ester Formula: C18H18N4O4S2 MolecularWeight: 418.48992

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)S(=O)(=O)C2=CC=CC3=NSN=C32)C(=O)OCCC4=CC=CC=N4

Isomeric SMILES

C1C[C@H](N(C1)S(=O)(=O)C2=CC=CC3=NSN=C32)C(=O)OCCC4=CC=CC=N4

InChI

InChI=1S/C18H18N4O4S2/c23-18(26-12-9-13-5-1-2-10-19-13)15-7-4-11-22(15)28(24,25)16-8-3-6-14-17(16)21-27-20-14/h1-3,5-6,8,10,15H,4,7,9,11-12H2/t15-/m0/s1