2-azanyl-N-[bis(azanyl)methylidene]-5-methylsulfonyl-4-(3-oxidanylpiperidin-1-yl)benzamide

Systemtic Name: 2-azanyl-N-[bis(azanyl)methylidene]-5-methylsulfonyl-4-(3-oxidanylpiperidin-1-yl)benzamide Openeye Name: 2-amino-N-(diaminomethylene)-4-(3-hydroxy-1-piperidyl)-5-methylsulfonyl-benzamide CAS Name: 2-amino-N-(diaminomethylidene)-4-(3-hydroxy-1-piperidinyl)-5-methylsulfonylbenzamide IUPAC Name: 2-amino-N-(diaminomethylidene)-4-(3-hydroxypiperidin-1-yl)-5-methylsulfonylbenzamide Traditional Name: 2-amino-N-(diaminomethylene)-4-(3-hydroxypiperidino)-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)N)N2CCCC(C2)O

Isomeric SMILES

CS(=O)(=O)C1=C(C=C(C(=C1)C(=O)N=C(N)N)N)N2CCCC(C2)O

InChI

InChI=1S/C14H21N5O4S/c1-24(22,23)12-5-9(13(21)18-14(16)17)10(15)6-11(12)19-4-2-3-8(20)7-19/h5-6,8,20H,2-4,7,15H2,1H3,(H4,16,17,18,21)