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

Systemtic Name: 3-(4-azanylpiperidin-1-yl)-N-[bis(azanyl)methylidene]-2-methylsulfonyl-benzamide Openeye Name: 3-(4-amino-1-piperidyl)-N-(diaminomethylene)-2-methylsulfonyl-benzamide CAS Name: 3-(4-amino-1-piperidinyl)-N-(diaminomethylidene)-2-methylsulfonylbenzamide IUPAC Name: 3-(4-aminopiperidin-1-yl)-N-(diaminomethylidene)-2-methylsulfonylbenzamide Traditional Name: 3-(4-aminopiperidino)-N-(diaminomethylene)-2-mesyl-benzamide Formula: C14H21N5O3S MolecularWeight: 339.41324

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=C(C=CC=C1N2CCC(CC2)N)C(=O)N=C(N)N

Isomeric SMILES

CS(=O)(=O)C1=C(C=CC=C1N2CCC(CC2)N)C(=O)N=C(N)N

InChI

InChI=1S/C14H21N5O3S/c1-23(21,22)12-10(13(20)18-14(16)17)3-2-4-11(12)19-7-5-9(15)6-8-19/h2-4,9H,5-8,15H2,1H3,(H4,16,17,18,20)