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

Systemtic Name: 4-chloranyl-N-(6-ethanoyl-1,3-benzodioxol-5-yl)-N'-(phenylsulfonyl)benzenecarboximidamide Openeye Name: N-(6-acetyl-1,3-benzodioxol-5-yl)-N'-(benzenesulfonyl)-4-chloro-benzamidine CAS Name: N-(6-acetyl-1,3-benzodioxol-5-yl)-N'-(benzenesulfonyl)-4-chlorobenzenecarboximidamide IUPAC Name: N-(6-acetyl-1,3-benzodioxol-5-yl)-N'-(benzenesulfonyl)-4-chlorobenzenecarboximidamide Traditional Name: N-(6-acetyl-1,3-benzodioxol-5-yl)-N'-besyl-4-chloro-benzamidine Formula: C22H17ClN2O5S MolecularWeight: 456.89878

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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=C(C=C4)Cl)OCO2

Isomeric SMILES

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

InChI

InChI=1S/C22H17ClN2O5S/c1-14(26)18-11-20-21(30-13-29-20)12-19(18)24-22(15-7-9-16(23)10-8-15)25-31(27,28)17-5-3-2-4-6-17/h2-12H,13H2,1H3,(H,24,25)