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

Systemtic Name: 4-(4-azanylpiperidin-1-yl)-N-[bis(azanyl)methylidene]-3-methylsulfonyl-5-nitro-benzamide Openeye Name: 4-(4-amino-1-piperidyl)-N-(diaminomethylene)-3-methylsulfonyl-5-nitro-benzamide CAS Name: 4-(4-amino-1-piperidinyl)-N-(diaminomethylidene)-3-methylsulfonyl-5-nitrobenzamide IUPAC Name: 4-(4-aminopiperidin-1-yl)-N-(diaminomethylidene)-3-methylsulfonyl-5-nitrobenzamide Traditional Name: 4-(4-aminopiperidino)-N-(diaminomethylene)-3-mesyl-5-nitro-benzamide Formula: C14H20N6O5S MolecularWeight: 384.4108

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC(=CC(=C1N2CCC(CC2)N)[N+](=O)[O-])C(=O)N=C(N)N

Isomeric SMILES

CS(=O)(=O)C1=CC(=CC(=C1N2CCC(CC2)N)[N+](=O)[O-])C(=O)N=C(N)N

InChI

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