N-(6-ethanoyl-1,3-benzodioxol-5-yl)-2-[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-ium-1-yl]ethanamide

Systemtic Name: N-(6-ethanoyl-1,3-benzodioxol-5-yl)-2-[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-ium-1-yl]ethanamide Openeye Name: N-(6-acetyl-1,3-benzodioxol-5-yl)-2-[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-ium-1-yl]acetamide CAS Name: N-(6-acetyl-1,3-benzodioxol-5-yl)-2-[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-ium-1-yl]acetamide IUPAC Name: N-(6-acetyl-1,3-benzodioxol-5-yl)-2-[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-ium-1-yl]acetamide Traditional Name: N-(6-acetyl-1,3-benzodioxol-5-yl)-2-[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-ium-1-yl]acetamide Formula: C22H25FN3O6S+ MolecularWeight: 478.513803

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC2=C(C=C1NC(=O)C[NH+]3CCCN(CC3)S(=O)(=O)C4=CC=C(C=C4)F)OCO2

Isomeric SMILES

CC(=O)C1=CC2=C(C=C1NC(=O)C[NH+]3CCCN(CC3)S(=O)(=O)C4=CC=C(C=C4)F)OCO2

InChI

InChI=1S/C22H24FN3O6S/c1-15(27)18-11-20-21(32-14-31-20)12-19(18)24-22(28)13-25-7-2-8-26(10-9-25)33(29,30)17-5-3-16(23)4-6-17/h3-6,11-12H,2,7-10,13-14H2,1H3,(H,24,28)/p+1