(2R,4R)-1-(4-fluorophenyl)sulfonyl-N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)-4-oxidanyl-pyrrolidine-2-carboxamide

Systemtic Name: (2R,4R)-1-(4-fluorophenyl)sulfonyl-N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)-4-oxidanyl-pyrrolidine-2-carboxamide Openeye Name: (2R,4R)-1-(4-fluorophenyl)sulfonyl-4-hydroxy-N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)pyrrolidine-2-carboxamide CAS Name: (2R,4R)-1-(4-fluorophenyl)sulfonyl-4-hydroxy-N-[2-(methylthio)-1,3-benzothiazol-6-yl]-2-pyrrolidinecarboxamide IUPAC Name: (2R,4R)-1-(4-fluorophenyl)sulfonyl-4-hydroxy-N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)pyrrolidine-2-carboxamide Traditional Name: (2R,4R)-1-(4-fluorophenyl)sulfonyl-4-hydroxy-N-[2-(methylthio)-1,3-benzothiazol-6-yl]pyrrolidine-2-carboxamide Formula: C19H18FN3O4S3 MolecularWeight: 467.557323

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC2=C(S1)C=C(C=C2)NC(=O)C3CC(CN3S(=O)(=O)C4=CC=C(C=C4)F)O

Isomeric SMILES

CSC1=NC2=C(S1)C=C(C=C2)NC(=O)[C@H]3C[C@H](CN3S(=O)(=O)C4=CC=C(C=C4)F)O

InChI

InChI=1S/C19H18FN3O4S3/c1-28-19-22-15-7-4-12(8-17(15)29-19)21-18(25)16-9-13(24)10-23(16)30(26,27)14-5-2-11(20)3-6-14/h2-8,13,16,24H,9-10H2,1H3,(H,21,25)/t13-,16-/m1/s1