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

Systemtic Name: N-(6-ethanoyl-1,3-benzodioxol-5-yl)-N'-(4-fluorophenyl)sulfonyl-benzenecarboximidamide Openeye Name: N-(6-acetyl-1,3-benzodioxol-5-yl)-N'-(4-fluorophenyl)sulfonyl-benzamidine CAS Name: N-(6-acetyl-1,3-benzodioxol-5-yl)-N'-(4-fluorophenyl)sulfonylbenzenecarboximidamide IUPAC Name: N-(6-acetyl-1,3-benzodioxol-5-yl)-N'-(4-fluorophenyl)sulfonylbenzenecarboximidamide Traditional Name: N-(6-acetyl-1,3-benzodioxol-5-yl)-N'-(4-fluorophenyl)sulfonyl-benzamidine Formula: C22H17FN2O5S MolecularWeight: 440.444183

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC2=C(C=C1NC(=NS(=O)(=O)C3=CC=C(C=C3)F)C4=CC=CC=C4)OCO2

Isomeric SMILES

CC(=O)C1=CC2=C(C=C1N/C(=N/S(=O)(=O)C3=CC=C(C=C3)F)/C4=CC=CC=C4)OCO2

InChI

InChI=1S/C22H17FN2O5S/c1-14(26)18-11-20-21(30-13-29-20)12-19(18)24-22(15-5-3-2-4-6-15)25-31(27,28)17-9-7-16(23)8-10-17/h2-12H,13H2,1H3,(H,24,25)