N-(6-ethanoyl-1,3-benzodioxol-5-yl)-4-fluoranyl-N'-(4-methylphenyl)sulfonyl-benzenecarboximidamide

Systemtic Name: N-(6-ethanoyl-1,3-benzodioxol-5-yl)-4-fluoranyl-N'-(4-methylphenyl)sulfonyl-benzenecarboximidamide Openeye Name: N-(6-acetyl-1,3-benzodioxol-5-yl)-4-fluoro-N'-(p-tolylsulfonyl)benzamidine CAS Name: N-(6-acetyl-1,3-benzodioxol-5-yl)-4-fluoro-N'-(4-methylphenyl)sulfonylbenzenecarboximidamide IUPAC Name: N-(6-acetyl-1,3-benzodioxol-5-yl)-4-fluoro-N'-(4-methylphenyl)sulfonylbenzenecarboximidamide Traditional Name: N-(6-acetyl-1,3-benzodioxol-5-yl)-4-fluoro-N'-tosyl-benzamidine Formula: C23H19FN2O5S MolecularWeight: 454.470763

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N=C(C2=CC=C(C=C2)F)NC3=CC4=C(C=C3C(=O)C)OCO4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)/N=C(\C2=CC=C(C=C2)F)/NC3=CC4=C(C=C3C(=O)C)OCO4

InChI

InChI=1S/C23H19FN2O5S/c1-14-3-9-18(10-4-14)32(28,29)26-23(16-5-7-17(24)8-6-16)25-20-12-22-21(30-13-31-22)11-19(20)15(2)27/h3-12H,13H2,1-2H3,(H,25,26)