2-[4-[4-[bis(fluoranyl)methylsulfonyl]phenyl]carbonylpiperazin-1-ium-1-yl]-N-tert-butyl-ethanamide

Systemtic Name: 2-[4-[4-[bis(fluoranyl)methylsulfonyl]phenyl]carbonylpiperazin-1-ium-1-yl]-N-tert-butyl-ethanamide Openeye Name: N-tert-butyl-2-[4-[4-(difluoromethylsulfonyl)benzoyl]piperazin-1-ium-1-yl]acetamide CAS Name: N-tert-butyl-2-[4-[[4-(difluoromethylsulfonyl)phenyl]-oxomethyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-tert-butyl-2-[4-[4-(difluoromethylsulfonyl)benzoyl]piperazin-1-ium-1-yl]acetamide Traditional Name: N-tert-butyl-2-[4-[4-(difluoromethylsulfonyl)benzoyl]piperazin-1-ium-1-yl]acetamide Formula: C18H26F2N3O4S+ MolecularWeight: 418.478546

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)C[NH+]1CCN(CC1)C(=O)C2=CC=C(C=C2)S(=O)(=O)C(F)F

Isomeric SMILES

CC(C)(C)NC(=O)C[NH+]1CCN(CC1)C(=O)C2=CC=C(C=C2)S(=O)(=O)C(F)F

InChI

InChI=1S/C18H25F2N3O4S/c1-18(2,3)21-15(24)12-22-8-10-23(11-9-22)16(25)13-4-6-14(7-5-13)28(26,27)17(19)20/h4-7,17H,8-12H2,1-3H3,(H,21,24)/p+1