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

Systemtic Name: 4-(butylamino)-N-[(Z)-N'-chloranylcarbamimidoyl]-3-methylsulfonyl-benzamide dihydrochloride Openeye Name: 4-(butylamino)-N-[(Z)-N'-chlorocarbamimidoyl]-3-methylsulfonyl-benzamide dihydrochloride CAS Name: N-[(Z)-amino(chloroimino)methyl]-4-(butylamino)-3-methylsulfonylbenzamide dihydrochloride IUPAC Name: 4-(butylamino)-N-[(Z)-N'-chlorocarbamimidoyl]-3-methylsulfonylbenzamide dihydrochloride Traditional Name: 4-(butylamino)-N-[(Z)-N'-chloroamidino]-3-mesyl-benzamide dihydrochloride Formula: C13H21Cl3N4O3S MolecularWeight: 419.75484

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H19ClN4O3S.2ClH/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);2*1H