5-[3,3-bis(fluoranyl)pyrrolidin-1-yl]sulfonyl-2-tert-butyl-1-(oxan-4-ylmethyl)benzimidazole

Systemtic Name: 5-[3,3-bis(fluoranyl)pyrrolidin-1-yl]sulfonyl-2-tert-butyl-1-(oxan-4-ylmethyl)benzimidazole Openeye Name: 2-tert-butyl-5-(3,3-difluoropyrrolidin-1-yl)sulfonyl-1-(tetrahydropyran-4-ylmethyl)benzimidazole CAS Name: 2-tert-butyl-5-[(3,3-difluoro-1-pyrrolidinyl)sulfonyl]-1-(4-oxanylmethyl)benzimidazole IUPAC Name: 2-tert-butyl-5-(3,3-difluoropyrrolidin-1-yl)sulfonyl-1-(oxan-4-ylmethyl)benzimidazole Traditional Name: 2-tert-butyl-5-(3,3-difluoropyrrolidino)sulfonyl-1-(tetrahydropyran-4-ylmethyl)benzimidazole Formula: C21H29F2N3O3S MolecularWeight: 441.535066

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NC2=C(N1CC3CCOCC3)C=CC(=C2)S(=O)(=O)N4CCC(C4)(F)F

Isomeric SMILES

CC(C)(C)C1=NC2=C(N1CC3CCOCC3)C=CC(=C2)S(=O)(=O)N4CCC(C4)(F)F

InChI

InChI=1S/C21H29F2N3O3S/c1-20(2,3)19-24-17-12-16(30(27,28)25-9-8-21(22,23)14-25)4-5-18(17)26(19)13-15-6-10-29-11-7-15/h4-5,12,15H,6-11,13-14H2,1-3H3