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

Systemtic Name: N-[bis(azanyl)methylidene]-4-(butylamino)-3-methylsulfonyl-benzamide hydrochloride Openeye Name: 4-(butylamino)-N-(diaminomethylene)-3-methylsulfonyl-benzamide hydrochloride CAS Name: 4-(butylamino)-N-(diaminomethylidene)-3-methylsulfonylbenzamide hydrochloride IUPAC Name: 4-(butylamino)-N-(diaminomethylidene)-3-methylsulfonylbenzamide hydrochloride Traditional Name: 4-(butylamino)-N-(diaminomethylene)-3-mesyl-benzamide hydrochloride Formula: C13H21ClN4O3S MolecularWeight: 348.84884

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H20N4O3S.ClH/c1-3-4-7-16-10-6-5-9(12(18)17-13(14)15)8-11(10)21(2,19)20;/h5-6,8,16H,3-4,7H2,1-2H3,(H4,14,15,17,18);1H