(2S)-N-(6-chloranyl-1,3-benzothiazol-2-yl)-1-methylsulfonyl-pyrrolidine-2-carboxamide

Systemtic Name: (2S)-N-(6-chloranyl-1,3-benzothiazol-2-yl)-1-methylsulfonyl-pyrrolidine-2-carboxamide Openeye Name: (2S)-N-(6-chloro-1,3-benzothiazol-2-yl)-1-methylsulfonyl-pyrrolidine-2-carboxamide CAS Name: (2S)-N-(6-chloro-1,3-benzothiazol-2-yl)-1-methylsulfonyl-2-pyrrolidinecarboxamide IUPAC Name: (2S)-N-(6-chloro-1,3-benzothiazol-2-yl)-1-methylsulfonylpyrrolidine-2-carboxamide Traditional Name: (2S)-N-(6-chloro-1,3-benzothiazol-2-yl)-1-mesyl-pyrrolidine-2-carboxamide Formula: C13H14ClN3O3S2 MolecularWeight: 359.85156

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CCCC1C(=O)NC2=NC3=C(S2)C=C(C=C3)Cl

Isomeric SMILES

CS(=O)(=O)N1CCC[C@H]1C(=O)NC2=NC3=C(S2)C=C(C=C3)Cl

InChI

InChI=1S/C13H14ClN3O3S2/c1-22(19,20)17-6-2-3-10(17)12(18)16-13-15-9-5-4-8(14)7-11(9)21-13/h4-5,7,10H,2-3,6H2,1H3,(H,15,16,18)/t10-/m0/s1