(E)-[azanyl-[(4-piperidin-1-ylphenyl)carbonylamino]methylidene]-methylsulfonyl-azanium; 2-oxidanylpropane-1,2,3-tricarboxylate

Systemtic Name: (E)-[azanyl-[(4-piperidin-1-ylphenyl)carbonylamino]methylidene]-methylsulfonyl-azanium; 2-oxidanylpropane-1,2,3-tricarboxylate Openeye Name: (E)-[amino-[[4-(1-piperidyl)benzoyl]amino]methylene]-methylsulfonyl-ammonium citrate CAS Name: (E)-[amino-[[oxo-[4-(1-piperidinyl)phenyl]methyl]amino]methylidene]-methylsulfonylammonium; 2-hydroxypropane-1,2,3-tricarboxylate IUPAC Name: (E)-[amino-[(4-piperidin-1-ylbenzoyl)amino]methylidene]-methylsulfonylazanium; 2-hydroxypropane-1,2,3-tricarboxylate Traditional Name: (E)-[amino-[(4-piperidinobenzoyl)amino]methylene]-mesyl-ammonium citrate Formula: C20H26N4O10S-2 MolecularWeight: 514.50624

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H20N4O3S.C6H8O7/c1-22(20,21)17-14(15)16-13(19)11-5-7-12(8-6-11)18-9-3-2-4-10-18;7-3(8)1-6(13,5(11)12)2-4(9)10/h5-8H,2-4,9-10H2,1H3,(H3,15,16,17,19);13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)/p-2