N-(6-ethanoyl-1,3-benzodioxol-5-yl)-N'-(phenylsulfonyl)benzenecarboximidamide

Systemtic Name: N-(6-ethanoyl-1,3-benzodioxol-5-yl)-N'-(phenylsulfonyl)benzenecarboximidamide Openeye Name: N-(6-acetyl-1,3-benzodioxol-5-yl)-N'-(benzenesulfonyl)benzamidine CAS Name: N-(6-acetyl-1,3-benzodioxol-5-yl)-N'-(benzenesulfonyl)benzenecarboximidamide IUPAC Name: N-(6-acetyl-1,3-benzodioxol-5-yl)-N'-(benzenesulfonyl)benzenecarboximidamide Traditional Name: N-(6-acetyl-1,3-benzodioxol-5-yl)-N'-besyl-benzamidine Formula: C22H18N2O5S MolecularWeight: 422.45372

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H18N2O5S/c1-15(25)18-12-20-21(29-14-28-20)13-19(18)23-22(16-8-4-2-5-9-16)24-30(26,27)17-10-6-3-7-11-17/h2-13H,14H2,1H3,(H,23,24)