2-[(2R)-1-[3,4-bis(fluoranyl)phenyl]-1-oxidanylidene-propan-2-yl]sulfanyl-1-propyl-benzimidazole-5-sulfonamide

Systemtic Name: 2-[(2R)-1-[3,4-bis(fluoranyl)phenyl]-1-oxidanylidene-propan-2-yl]sulfanyl-1-propyl-benzimidazole-5-sulfonamide Openeye Name: 2-[(1R)-2-(3,4-difluorophenyl)-1-methyl-2-oxo-ethyl]sulfanyl-1-propyl-benzimidazole-5-sulfonamide CAS Name: 2-[[(2R)-1-(3,4-difluorophenyl)-1-oxopropan-2-yl]thio]-1-propyl-5-benzimidazolesulfonamide IUPAC Name: 2-[(2R)-1-(3,4-difluorophenyl)-1-oxopropan-2-yl]sulfanyl-1-propylbenzimidazole-5-sulfonamide Traditional Name: 2-[[(1R)-2-(3,4-difluorophenyl)-2-keto-1-methyl-ethyl]thio]-1-propyl-benzimidazole-5-sulfonamide Formula: C19H19F2N3O3S2 MolecularWeight: 439.499266

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(C=C(C=C2)S(=O)(=O)N)N=C1SC(C)C(=O)C3=CC(=C(C=C3)F)F

Isomeric SMILES

CCCN1C2=C(C=C(C=C2)S(=O)(=O)N)N=C1S[C@H](C)C(=O)C3=CC(=C(C=C3)F)F

InChI

InChI=1S/C19H19F2N3O3S2/c1-3-8-24-17-7-5-13(29(22,26)27)10-16(17)23-19(24)28-11(2)18(25)12-4-6-14(20)15(21)9-12/h4-7,9-11H,3,8H2,1-2H3,(H2,22,26,27)/t11-/m1/s1