4-(4-azanylpiperidin-1-yl)-N-[bis(azanyl)methylidene]-3-methylsulfonyl-benzamide trihydrochloride

Systemtic Name: 4-(4-azanylpiperidin-1-yl)-N-[bis(azanyl)methylidene]-3-methylsulfonyl-benzamide trihydrochloride Openeye Name: 4-(4-amino-1-piperidyl)-N-(diaminomethylene)-3-methylsulfonyl-benzamide trihydrochloride CAS Name: 4-(4-amino-1-piperidinyl)-N-(diaminomethylidene)-3-methylsulfonylbenzamide trihydrochloride IUPAC Name: 4-(4-aminopiperidin-1-yl)-N-(diaminomethylidene)-3-methylsulfonylbenzamide trihydrochloride Traditional Name: 4-(4-aminopiperidino)-N-(diaminomethylene)-3-mesyl-benzamide trihydrochloride Formula: C14H24Cl3N5O3S MolecularWeight: 448.79606

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=C(C=CC(=C1)C(=O)N=C(N)N)N2CCC(CC2)N.Cl.Cl.Cl

Isomeric SMILES

CS(=O)(=O)C1=C(C=CC(=C1)C(=O)N=C(N)N)N2CCC(CC2)N.Cl.Cl.Cl

InChI

InChI=1S/C14H21N5O3S.3ClH/c1-23(21,22)12-8-9(13(20)18-14(16)17)2-3-11(12)19-6-4-10(15)5-7-19;;;/h2-3,8,10H,4-7,15H2,1H3,(H4,16,17,18,20);3*1H