N-[(E)-N'-chloranylcarbamimidoyl]-N-[4-(dimethylsulfamoyl)phenoxy]-3-methylsulfonyl-benzamide

Systemtic Name: N-[(E)-N'-chloranylcarbamimidoyl]-N-[4-(dimethylsulfamoyl)phenoxy]-3-methylsulfonyl-benzamide Openeye Name: N-[(E)-N'-chlorocarbamimidoyl]-N-[4-(dimethylsulfamoyl)phenoxy]-3-methylsulfonyl-benzamide CAS Name: N-[(E)-amino(chloroimino)methyl]-N-[4-(dimethylsulfamoyl)phenoxy]-3-methylsulfonylbenzamide IUPAC Name: N-[(E)-N'-chlorocarbamimidoyl]-N-[4-(dimethylsulfamoyl)phenoxy]-3-methylsulfonylbenzamide Traditional Name: N-[(E)-N'-chloroamidino]-N-[4-(dimethylsulfamoyl)phenoxy]-3-mesyl-benzamide Formula: C17H19ClN4O6S2 MolecularWeight: 474.93896

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)S(=O)(=O)C1=CC=C(C=C1)ON(C(=O)C2=CC(=CC=C2)S(=O)(=O)C)C(=NCl)N

Isomeric SMILES

CN(C)S(=O)(=O)C1=CC=C(C=C1)ON(C(=O)C2=CC(=CC=C2)S(=O)(=O)C)/C(=N/Cl)/N

InChI

InChI=1S/C17H19ClN4O6S2/c1-21(2)30(26,27)14-9-7-13(8-10-14)28-22(17(19)20-18)16(23)12-5-4-6-15(11-12)29(3,24)25/h4-11H,1-3H3,(H2,19,20)