4-(4-azanylpiperidin-1-yl)-N-[bis(azanyl)methylidene]-2-methylsulfonyl-5-nitro-benzamide dihydrochloride

Systemtic Name: 4-(4-azanylpiperidin-1-yl)-N-[bis(azanyl)methylidene]-2-methylsulfonyl-5-nitro-benzamide dihydrochloride Openeye Name: 4-(4-amino-1-piperidyl)-N-(diaminomethylene)-2-methylsulfonyl-5-nitro-benzamide dihydrochloride CAS Name: 4-(4-amino-1-piperidinyl)-N-(diaminomethylidene)-2-methylsulfonyl-5-nitrobenzamide dihydrochloride IUPAC Name: 4-(4-aminopiperidin-1-yl)-N-(diaminomethylidene)-2-methylsulfonyl-5-nitrobenzamide dihydrochloride Traditional Name: 4-(4-aminopiperidino)-N-(diaminomethylene)-2-mesyl-5-nitro-benzamide dihydrochloride Formula: C14H22Cl2N6O5S MolecularWeight: 457.33268

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC(=C(C=C1C(=O)N=C(N)N)[N+](=O)[O-])N2CCC(CC2)N.Cl.Cl

Isomeric SMILES

CS(=O)(=O)C1=CC(=C(C=C1C(=O)N=C(N)N)[N+](=O)[O-])N2CCC(CC2)N.Cl.Cl

InChI

InChI=1S/C14H20N6O5S.2ClH/c1-26(24,25)12-7-10(19-4-2-8(15)3-5-19)11(20(22)23)6-9(12)13(21)18-14(16)17;;/h6-8H,2-5,15H2,1H3,(H4,16,17,18,21);2*1H