(E)-[azanyl-[(4-piperidin-1-ylphenyl)carbonylamino]methylidene]-methylsulfonyl-azanium; ethanesulfonate

Systemtic Name: (E)-[azanyl-[(4-piperidin-1-ylphenyl)carbonylamino]methylidene]-methylsulfonyl-azanium; ethanesulfonate Openeye Name: (E)-[amino-[[4-(1-piperidyl)benzoyl]amino]methylene]-methylsulfonyl-ammonium; ethanesulfonate CAS Name: (E)-[amino-[[oxo-[4-(1-piperidinyl)phenyl]methyl]amino]methylidene]-methylsulfonylammonium; ethanesulfonate IUPAC Name: (E)-[amino-[(4-piperidin-1-ylbenzoyl)amino]methylidene]-methylsulfonylazanium; ethanesulfonate Traditional Name: (E)-[amino-[(4-piperidinobenzoyl)amino]methylene]-mesyl-ammonium esylate Formula: C16H26N4O6S2 MolecularWeight: 434.53084

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)[O-].CS(=O)(=O)[NH+]=C(N)NC(=O)C1=CC=C(C=C1)N2CCCCC2

Isomeric SMILES

CCS(=O)(=O)[O-].CS(=O)(=O)/[NH+]=C(\N)/NC(=O)C1=CC=C(C=C1)N2CCCCC2

InChI

InChI=1S/C14H20N4O3S.C2H6O3S/c1-22(20,21)17-14(15)16-13(19)11-5-7-12(8-6-11)18-9-3-2-4-10-18;1-2-6(3,4)5/h5-8H,2-4,9-10H2,1H3,(H3,15,16,17,19);2H2,1H3,(H,3,4,5)