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

Systemtic Name: 3-(4-azanylpiperidin-1-yl)-N-[bis(azanyl)methylidene]-5-methylsulfonyl-benzamide Openeye Name: 3-(4-amino-1-piperidyl)-N-(diaminomethylene)-5-methylsulfonyl-benzamide CAS Name: 3-(4-amino-1-piperidinyl)-N-(diaminomethylidene)-5-methylsulfonylbenzamide IUPAC Name: 3-(4-aminopiperidin-1-yl)-N-(diaminomethylidene)-5-methylsulfonylbenzamide Traditional Name: 3-(4-aminopiperidino)-N-(diaminomethylene)-5-mesyl-benzamide Formula: C14H21N5O3S MolecularWeight: 339.41324

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H21N5O3S/c1-23(21,22)12-7-9(13(20)18-14(16)17)6-11(8-12)19-4-2-10(15)3-5-19/h6-8,10H,2-5,15H2,1H3,(H4,16,17,18,20)