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

Systemtic Name: 1-(4-fluorophenyl)sulfonyl-N-(6-methylsulfanyl-1,3-benzothiazol-2-yl)pyrrolidine-2-carboxamide Openeye Name: 1-(4-fluorophenyl)sulfonyl-N-(6-methylsulfanyl-1,3-benzothiazol-2-yl)pyrrolidine-2-carboxamide CAS Name: 1-(4-fluorophenyl)sulfonyl-N-[6-(methylthio)-1,3-benzothiazol-2-yl]-2-pyrrolidinecarboxamide IUPAC Name: 1-(4-fluorophenyl)sulfonyl-N-(6-methylsulfanyl-1,3-benzothiazol-2-yl)pyrrolidine-2-carboxamide Traditional Name: 1-(4-fluorophenyl)sulfonyl-N-[6-(methylthio)-1,3-benzothiazol-2-yl]pyrrolidine-2-carboxamide Formula: C19H18FN3O3S3 MolecularWeight: 451.557923

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC2=C(C=C1)N=C(S2)NC(=O)C3CCCN3S(=O)(=O)C4=CC=C(C=C4)F

Isomeric SMILES

CSC1=CC2=C(C=C1)N=C(S2)NC(=O)C3CCCN3S(=O)(=O)C4=CC=C(C=C4)F

InChI

InChI=1S/C19H18FN3O3S3/c1-27-13-6-9-15-17(11-13)28-19(21-15)22-18(24)16-3-2-10-23(16)29(25,26)14-7-4-12(20)5-8-14/h4-9,11,16H,2-3,10H2,1H3,(H,21,22,24)