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

Systemtic Name: 4-(4-azanylpiperidin-1-yl)-N-[bis(azanyl)methylidene]-2-methyl-5-methylsulfonyl-benzamide dihydrochloride Openeye Name: 4-(4-amino-1-piperidyl)-N-(diaminomethylene)-2-methyl-5-methylsulfonyl-benzamide dihydrochloride CAS Name: 4-(4-amino-1-piperidinyl)-N-(diaminomethylidene)-2-methyl-5-methylsulfonylbenzamide dihydrochloride IUPAC Name: 4-(4-aminopiperidin-1-yl)-N-(diaminomethylidene)-2-methyl-5-methylsulfonylbenzamide dihydrochloride Traditional Name: 4-(4-aminopiperidino)-N-(diaminomethylene)-5-mesyl-2-methyl-benzamide dihydrochloride Formula: C15H25Cl2N5O3S MolecularWeight: 426.3617

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C(=O)N=C(N)N)S(=O)(=O)C)N2CCC(CC2)N.Cl.Cl

Isomeric SMILES

CC1=CC(=C(C=C1C(=O)N=C(N)N)S(=O)(=O)C)N2CCC(CC2)N.Cl.Cl

InChI

InChI=1S/C15H23N5O3S.2ClH/c1-9-7-12(20-5-3-10(16)4-6-20)13(24(2,22)23)8-11(9)14(21)19-15(17)18;;/h7-8,10H,3-6,16H2,1-2H3,(H4,17,18,19,21);2*1H