N-tert-butyl-2-[4-(4-fluoranyl-2-methyl-phenyl)sulfonyl-1,4-diazepan-1-ium-1-yl]ethanamide

Systemtic Name: N-tert-butyl-2-[4-(4-fluoranyl-2-methyl-phenyl)sulfonyl-1,4-diazepan-1-ium-1-yl]ethanamide Openeye Name: N-tert-butyl-2-[4-(4-fluoro-2-methyl-phenyl)sulfonyl-1,4-diazepan-1-ium-1-yl]acetamide CAS Name: N-tert-butyl-2-[4-(4-fluoro-2-methylphenyl)sulfonyl-1,4-diazepan-1-ium-1-yl]acetamide IUPAC Name: N-tert-butyl-2-[4-(4-fluoro-2-methylphenyl)sulfonyl-1,4-diazepan-1-ium-1-yl]acetamide Traditional Name: N-tert-butyl-2-[4-(4-fluoro-2-methyl-phenyl)sulfonyl-1,4-diazepan-1-ium-1-yl]acetamide Formula: C18H29FN3O3S+ MolecularWeight: 386.504563

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)F)S(=O)(=O)N2CCC[NH+](CC2)CC(=O)NC(C)(C)C

Isomeric SMILES

CC1=C(C=CC(=C1)F)S(=O)(=O)N2CCC[NH+](CC2)CC(=O)NC(C)(C)C

InChI

InChI=1S/C18H28FN3O3S/c1-14-12-15(19)6-7-16(14)26(24,25)22-9-5-8-21(10-11-22)13-17(23)20-18(2,3)4/h6-7,12H,5,8-11,13H2,1-4H3,(H,20,23)/p+1