5,6-bis(fluoranyl)-1-[4-[(3S)-3-methylpiperidin-1-yl]sulfonyl-2-nitro-phenyl]benzimidazole

Systemtic Name: 5,6-bis(fluoranyl)-1-[4-[(3S)-3-methylpiperidin-1-yl]sulfonyl-2-nitro-phenyl]benzimidazole Openeye Name: 5,6-difluoro-1-[4-[[(3S)-3-methyl-1-piperidyl]sulfonyl]-2-nitro-phenyl]benzimidazole CAS Name: 5,6-difluoro-1-[4-[[(3S)-3-methyl-1-piperidinyl]sulfonyl]-2-nitrophenyl]benzimidazole IUPAC Name: 5,6-difluoro-1-[4-[(3S)-3-methylpiperidin-1-yl]sulfonyl-2-nitrophenyl]benzimidazole Traditional Name: 5,6-difluoro-1-[4-[(3S)-3-methylpiperidino]sulfonyl-2-nitro-phenyl]benzimidazole Formula: C19H18F2N4O4S MolecularWeight: 436.432426

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)S(=O)(=O)C2=CC(=C(C=C2)N3C=NC4=CC(=C(C=C43)F)F)[N+](=O)[O-]

Isomeric SMILES

C[C@H]1CCCN(C1)S(=O)(=O)C2=CC(=C(C=C2)N3C=NC4=CC(=C(C=C43)F)F)[N+](=O)[O-]

InChI

InChI=1S/C19H18F2N4O4S/c1-12-3-2-6-23(10-12)30(28,29)13-4-5-17(19(7-13)25(26)27)24-11-22-16-8-14(20)15(21)9-18(16)24/h4-5,7-9,11-12H,2-3,6,10H2,1H3/t12-/m0/s1