(E)-but-2-enedioate; dicyclopentyl-methyl-[2-[3-(methylsulfonylamino)-2-oxidanyl-phenyl]-2-oxidanyl-ethyl]azanium

Systemtic Name: (E)-but-2-enedioate; dicyclopentyl-methyl-[2-[3-(methylsulfonylamino)-2-oxidanyl-phenyl]-2-oxidanyl-ethyl]azanium Openeye Name: (E)-but-2-enedioate; dicyclopentyl-[2-hydroxy-2-[2-hydroxy-3-(methanesulfonamido)phenyl]ethyl]-methyl-ammonium CAS Name: (E)-2-butenedioate; dicyclopentyl-[2-hydroxy-2-[2-hydroxy-3-(methanesulfonamido)phenyl]ethyl]-methylammonium IUPAC Name: (E)-but-2-enedioate; dicyclopentyl-[2-hydroxy-2-[2-hydroxy-3-(methanesulfonamido)phenyl]ethyl]-methylazanium Traditional Name: dicyclopentyl-[2-hydroxy-2-[2-hydroxy-3-(methanesulfonamido)phenyl]ethyl]-methyl-ammonium fumarate Formula: C44H68N4O12S2 MolecularWeight: 909.16032

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Descriptors Computed from Structure

Canonical SMILES:

C[N+](CC(C1=C(C(=CC=C1)NS(=O)(=O)C)O)O)(C2CCCC2)C3CCCC3.C[N+](CC(C1=C(C(=CC=C1)NS(=O)(=O)C)O)O)(C2CCCC2)C3CCCC3.C(=CC(=O)[O-])C(=O)[O-]

Isomeric SMILES

C[N+](CC(C1=C(C(=CC=C1)NS(=O)(=O)C)O)O)(C2CCCC2)C3CCCC3.C[N+](CC(C1=C(C(=CC=C1)NS(=O)(=O)C)O)O)(C2CCCC2)C3CCCC3.C(=C/C(=O)[O-])\C(=O)[O-]

InChI

InChI=1S/2C20H32N2O4S.C4H4O4/c2*1-22(15-8-3-4-9-15,16-10-5-6-11-16)14-19(23)17-12-7-13-18(20(17)24)21-27(2,25)26;5-3(6)1-2-4(7)8/h2*7,12-13,15-16,19,21,23H,3-6,8-11,14H2,1-2H3;1-2H,(H,5,6)(H,7,8)/b;;2-1+