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

Systemtic Name: (E)-[azanyl-[(4-piperidin-1-ylphenyl)carbonylamino]methylidene]-methylsulfonyl-azanium sulfate Openeye Name: (E)-[amino-[[4-(1-piperidyl)benzoyl]amino]methylene]-methylsulfonyl-ammonium sulfate CAS Name: (E)-[amino-[[oxo-[4-(1-piperidinyl)phenyl]methyl]amino]methylidene]-methylsulfonylammonium sulfate IUPAC Name: (E)-[amino-[(4-piperidin-1-ylbenzoyl)amino]methylidene]-methylsulfonylazanium sulfate Traditional Name: (E)-[amino-[(4-piperidinobenzoyl)amino]methylene]-mesyl-ammonium sulfate Formula: C14H21N4O7S2- MolecularWeight: 421.46914

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H20N4O3S.H2O4S/c1-22(20,21)17-14(15)16-13(19)11-5-7-12(8-6-11)18-9-3-2-4-10-18;1-5(2,3)4/h5-8H,2-4,9-10H2,1H3,(H3,15,16,17,19);(H2,1,2,3,4)/p-1