N-[bis(azanyl)methylidene]-3-methylsulfonyl-4-(2-oxidanylpropylamino)benzamide hydrochloride

Systemtic Name: N-[bis(azanyl)methylidene]-3-methylsulfonyl-4-(2-oxidanylpropylamino)benzamide hydrochloride Openeye Name: N-(diaminomethylene)-4-(2-hydroxypropylamino)-3-methylsulfonyl-benzamide hydrochloride CAS Name: N-(diaminomethylidene)-4-(2-hydroxypropylamino)-3-methylsulfonylbenzamide hydrochloride IUPAC Name: N-(diaminomethylidene)-4-(2-hydroxypropylamino)-3-methylsulfonylbenzamide hydrochloride Traditional Name: N-(diaminomethylene)-4-(2-hydroxypropylamino)-3-mesyl-benzamide hydrochloride Formula: C12H19ClN4O4S MolecularWeight: 350.82166

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Descriptors Computed from Structure

Canonical SMILES:

CC(CNC1=C(C=C(C=C1)C(=O)N=C(N)N)S(=O)(=O)C)O.Cl

Isomeric SMILES

CC(CNC1=C(C=C(C=C1)C(=O)N=C(N)N)S(=O)(=O)C)O.Cl

InChI

InChI=1S/C12H18N4O4S.ClH/c1-7(17)6-15-9-4-3-8(11(18)16-12(13)14)5-10(9)21(2,19)20;/h3-5,7,15,17H,6H2,1-2H3,(H4,13,14,16,18);1H