1-[bis(fluoranyl)methyl]-2-[4-(4-methylpiperazin-1-yl)sulfonyl-2-nitro-phenyl]sulfanyl-benzimidazole

Systemtic Name: 1-[bis(fluoranyl)methyl]-2-[4-(4-methylpiperazin-1-yl)sulfonyl-2-nitro-phenyl]sulfanyl-benzimidazole Openeye Name: 1-(difluoromethyl)-2-[4-(4-methylpiperazin-1-yl)sulfonyl-2-nitro-phenyl]sulfanyl-benzimidazole CAS Name: 1-(difluoromethyl)-2-[[4-[(4-methyl-1-piperazinyl)sulfonyl]-2-nitrophenyl]thio]benzimidazole IUPAC Name: 1-(difluoromethyl)-2-[4-(4-methylpiperazin-1-yl)sulfonyl-2-nitrophenyl]sulfanylbenzimidazole Traditional Name: 1-(difluoromethyl)-2-[[4-(4-methylpiperazino)sulfonyl-2-nitro-phenyl]thio]benzimidazole Formula: C19H19F2N5O4S2 MolecularWeight: 483.512066

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)SC3=NC4=CC=CC=C4N3C(F)F)[N+](=O)[O-]

Isomeric SMILES

CN1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)SC3=NC4=CC=CC=C4N3C(F)F)[N+](=O)[O-]

InChI

InChI=1S/C19H19F2N5O4S2/c1-23-8-10-24(11-9-23)32(29,30)13-6-7-17(16(12-13)26(27)28)31-19-22-14-4-2-3-5-15(14)25(19)18(20)21/h2-7,12,18H,8-11H2,1H3