5,6-bis(fluoranyl)-2-(4-nitro-2-pyrrolidin-1-ylsulfonyl-phenyl)sulfanyl-1H-benzimidazole

Systemtic Name: 5,6-bis(fluoranyl)-2-(4-nitro-2-pyrrolidin-1-ylsulfonyl-phenyl)sulfanyl-1H-benzimidazole Openeye Name: 5,6-difluoro-2-(4-nitro-2-pyrrolidin-1-ylsulfonyl-phenyl)sulfanyl-1H-benzimidazole CAS Name: 5,6-difluoro-2-[[4-nitro-2-(1-pyrrolidinylsulfonyl)phenyl]thio]-1H-benzimidazole IUPAC Name: 5,6-difluoro-2-(4-nitro-2-pyrrolidin-1-ylsulfonylphenyl)sulfanyl-1H-benzimidazole Traditional Name: 5,6-difluoro-2-[(4-nitro-2-pyrrolidinosulfonyl-phenyl)thio]-1H-benzimidazole Formula: C17H14F2N4O4S2 MolecularWeight: 440.444266

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=C(C=CC(=C2)[N+](=O)[O-])SC3=NC4=CC(=C(C=C4N3)F)F

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=C(C=CC(=C2)[N+](=O)[O-])SC3=NC4=CC(=C(C=C4N3)F)F

InChI

InChI=1S/C17H14F2N4O4S2/c18-11-8-13-14(9-12(11)19)21-17(20-13)28-15-4-3-10(23(24)25)7-16(15)29(26,27)22-5-1-2-6-22/h3-4,7-9H,1-2,5-6H2,(H,20,21)