4-(4-azanylpiperidin-1-yl)-N-[bis(azanyl)methylidene]-3-chloranyl-5-methylsulfonyl-benzamide dihydrochloride

Systemtic Name: 4-(4-azanylpiperidin-1-yl)-N-[bis(azanyl)methylidene]-3-chloranyl-5-methylsulfonyl-benzamide dihydrochloride Openeye Name: 4-(4-amino-1-piperidyl)-3-chloro-N-(diaminomethylene)-5-methylsulfonyl-benzamide dihydrochloride CAS Name: 4-(4-amino-1-piperidinyl)-3-chloro-N-(diaminomethylidene)-5-methylsulfonylbenzamide dihydrochloride IUPAC Name: 4-(4-aminopiperidin-1-yl)-3-chloro-N-(diaminomethylidene)-5-methylsulfonylbenzamide dihydrochloride Traditional Name: 4-(4-aminopiperidino)-3-chloro-N-(diaminomethylene)-5-mesyl-benzamide dihydrochloride Formula: C14H22Cl3N5O3S MolecularWeight: 446.78018

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H20ClN5O3S.2ClH/c1-24(22,23)11-7-8(13(21)19-14(17)18)6-10(15)12(11)20-4-2-9(16)3-5-20;;/h6-7,9H,2-5,16H2,1H3,(H4,17,18,19,21);2*1H