4-(butylamino)-N-[(Z)-N'-chloranylcarbamimidoyl]-3-methylsulfonyl-benzamide

Systemtic Name: 4-(butylamino)-N-[(Z)-N'-chloranylcarbamimidoyl]-3-methylsulfonyl-benzamide Openeye Name: 4-(butylamino)-N-[(Z)-N'-chlorocarbamimidoyl]-3-methylsulfonyl-benzamide CAS Name: N-[(Z)-amino(chloroimino)methyl]-4-(butylamino)-3-methylsulfonylbenzamide IUPAC Name: 4-(butylamino)-N-[(Z)-N'-chlorocarbamimidoyl]-3-methylsulfonylbenzamide Traditional Name: 4-(butylamino)-N-[(Z)-N'-chloroamidino]-3-mesyl-benzamide Formula: C13H19ClN4O3S MolecularWeight: 346.83296

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCNC1=C(C=C(C=C1)C(=O)NC(=NCl)N)S(=O)(=O)C

Isomeric SMILES

CCCCNC1=C(C=C(C=C1)C(=O)N/C(=N\Cl)/N)S(=O)(=O)C

InChI

InChI=1S/C13H19ClN4O3S/c1-3-4-7-16-10-6-5-9(8-11(10)22(2,20)21)12(19)17-13(15)18-14/h5-6,8,16H,3-4,7H2,1-2H3,(H3,15,17,18,19)