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

Systemtic Name: 4-(4-azanylpiperidin-1-yl)-N-[bis(azanyl)methylidene]-3-methylsulfonyl-benzamide dihydrochloride Openeye Name: 4-(4-amino-1-piperidyl)-N-(diaminomethylene)-3-methylsulfonyl-benzamide dihydrochloride CAS Name: 4-(4-amino-1-piperidinyl)-N-(diaminomethylidene)-3-methylsulfonylbenzamide dihydrochloride IUPAC Name: 4-(4-aminopiperidin-1-yl)-N-(diaminomethylidene)-3-methylsulfonylbenzamide dihydrochloride Traditional Name: 4-(4-aminopiperidino)-N-(diaminomethylene)-3-mesyl-benzamide dihydrochloride Formula: C14H23Cl2N5O3S MolecularWeight: 412.33512

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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

Isomeric SMILES

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

InChI

InChI=1S/C14H21N5O3S.2ClH/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);2*1H