(2S)-1-[(5-methyl-2,1,3-benzothiadiazol-4-yl)sulfonyl]pyrrolidine-2-carboxylate

Systemtic Name: (2S)-1-[(5-methyl-2,1,3-benzothiadiazol-4-yl)sulfonyl]pyrrolidine-2-carboxylate Openeye Name: (2S)-1-[(5-methyl-2,1,3-benzothiadiazol-4-yl)sulfonyl]pyrrolidine-2-carboxylate CAS Name: (2S)-1-[(5-methyl-2,1,3-benzothiadiazol-4-yl)sulfonyl]-2-pyrrolidinecarboxylate IUPAC Name: (2S)-1-[(5-methyl-2,1,3-benzothiadiazol-4-yl)sulfonyl]pyrrolidine-2-carboxylate Traditional Name: (2S)-1-(5-methylpiazthiol-4-yl)sulfonylpyrrolidine-2-carboxylate Formula: C12H12N3O4S2- MolecularWeight: 326.37138

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=NSN=C2C=C1)S(=O)(=O)N3CCCC3C(=O)[O-]

Isomeric SMILES

CC1=C(C2=NSN=C2C=C1)S(=O)(=O)N3CCC[C@H]3C(=O)[O-]

InChI

InChI=1S/C12H13N3O4S2/c1-7-4-5-8-10(14-20-13-8)11(7)21(18,19)15-6-2-3-9(15)12(16)17/h4-5,9H,2-3,6H2,1H3,(H,16,17)/p-1/t9-/m0/s1