4-fluoranyl-N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)-3-pyrrolidin-1-ylsulfonyl-benzamide

Systemtic Name: 4-fluoranyl-N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)-3-pyrrolidin-1-ylsulfonyl-benzamide Openeye Name: 4-fluoro-N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)-3-pyrrolidin-1-ylsulfonyl-benzamide CAS Name: 4-fluoro-N-[2-(methylthio)-1,3-benzothiazol-6-yl]-3-(1-pyrrolidinylsulfonyl)benzamide IUPAC Name: 4-fluoro-N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)-3-pyrrolidin-1-ylsulfonylbenzamide Traditional Name: 4-fluoro-N-[2-(methylthio)-1,3-benzothiazol-6-yl]-3-pyrrolidinosulfonyl-benzamide Formula: C19H18FN3O3S3 MolecularWeight: 451.557923

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC2=C(S1)C=C(C=C2)NC(=O)C3=CC(=C(C=C3)F)S(=O)(=O)N4CCCC4

Isomeric SMILES

CSC1=NC2=C(S1)C=C(C=C2)NC(=O)C3=CC(=C(C=C3)F)S(=O)(=O)N4CCCC4

InChI

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