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

Systemtic Name: N-[bis(azanyl)methylidene]-4-butyl-3-methylsulfonyl-benzamide hydrochloride Openeye Name: 4-butyl-N-(diaminomethylene)-3-methylsulfonyl-benzamide hydrochloride CAS Name: 4-butyl-N-(diaminomethylidene)-3-methylsulfonylbenzamide hydrochloride IUPAC Name: 4-butyl-N-(diaminomethylidene)-3-methylsulfonylbenzamide hydrochloride Traditional Name: 4-butyl-N-(diaminomethylene)-3-mesyl-benzamide hydrochloride Formula: C13H20ClN3O3S MolecularWeight: 333.8342

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(C=C(C=C1)C(=O)N=C(N)N)S(=O)(=O)C.Cl

Isomeric SMILES

CCCCC1=C(C=C(C=C1)C(=O)N=C(N)N)S(=O)(=O)C.Cl

InChI

InChI=1S/C13H19N3O3S.ClH/c1-3-4-5-9-6-7-10(12(17)16-13(14)15)8-11(9)20(2,18)19;/h6-8H,3-5H2,1-2H3,(H4,14,15,16,17);1H