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

Systemtic Name: 4-(4-azanylpiperidin-1-yl)-N-[bis(azanyl)methylidene]-5-methylsulfonyl-2-oxidanyl-benzamide Openeye Name: 4-(4-amino-1-piperidyl)-N-(diaminomethylene)-2-hydroxy-5-methylsulfonyl-benzamide CAS Name: 4-(4-amino-1-piperidinyl)-N-(diaminomethylidene)-2-hydroxy-5-methylsulfonylbenzamide IUPAC Name: 4-(4-aminopiperidin-1-yl)-N-(diaminomethylidene)-2-hydroxy-5-methylsulfonylbenzamide Traditional Name: 4-(4-aminopiperidino)-N-(diaminomethylene)-2-hydroxy-5-mesyl-benzamide Formula: C14H21N5O4S MolecularWeight: 355.41264

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=C(C=C(C(=C1)C(=O)N=C(N)N)O)N2CCC(CC2)N

Isomeric SMILES

CS(=O)(=O)C1=C(C=C(C(=C1)C(=O)N=C(N)N)O)N2CCC(CC2)N

InChI

InChI=1S/C14H21N5O4S/c1-24(22,23)12-6-9(13(21)18-14(16)17)11(20)7-10(12)19-4-2-8(15)3-5-19/h6-8,20H,2-5,15H2,1H3,(H4,16,17,18,21)