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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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