2-[(3-chloranyl-4-fluoranyl-phenyl)sulfanylmethyl]-N,N-dimethyl-1-propyl-benzimidazole-5-sulfonamide

Systemtic Name: 2-[(3-chloranyl-4-fluoranyl-phenyl)sulfanylmethyl]-N,N-dimethyl-1-propyl-benzimidazole-5-sulfonamide Openeye Name: 2-[(3-chloro-4-fluoro-phenyl)sulfanylmethyl]-N,N-dimethyl-1-propyl-benzimidazole-5-sulfonamide CAS Name: 2-[[(3-chloro-4-fluorophenyl)thio]methyl]-N,N-dimethyl-1-propyl-5-benzimidazolesulfonamide IUPAC Name: 2-[(3-chloro-4-fluorophenyl)sulfanylmethyl]-N,N-dimethyl-1-propylbenzimidazole-5-sulfonamide Traditional Name: 2-[[(3-chloro-4-fluoro-phenyl)thio]methyl]-N,N-dimethyl-1-propyl-benzimidazole-5-sulfonamide Formula: C19H21ClFN3O2S2 MolecularWeight: 441.970343

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(C=C(C=C2)S(=O)(=O)N(C)C)N=C1CSC3=CC(=C(C=C3)F)Cl

Isomeric SMILES

CCCN1C2=C(C=C(C=C2)S(=O)(=O)N(C)C)N=C1CSC3=CC(=C(C=C3)F)Cl

InChI

InChI=1S/C19H21ClFN3O2S2/c1-4-9-24-18-8-6-14(28(25,26)23(2)3)11-17(18)22-19(24)12-27-13-5-7-16(21)15(20)10-13/h5-8,10-11H,4,9,12H2,1-3H3