(E)-but-2-enedioic acid; 5-chloranyl-2-methoxy-4-(methylsulfonylamino)-N-[(3-oxidanyl-1-azabicyclo[2.2.2]octan-3-yl)methyl]benzamide

Systemtic Name: (E)-but-2-enedioic acid; 5-chloranyl-2-methoxy-4-(methylsulfonylamino)-N-[(3-oxidanyl-1-azabicyclo[2.2.2]octan-3-yl)methyl]benzamide Openeye Name: 5-chloro-N-[(3-hydroxyquinuclidin-3-yl)methyl]-4-(methanesulfonamido)-2-methoxy-benzamide; fumaric acid CAS Name: (E)-2-butenedioic acid; 5-chloro-N-[(3-hydroxy-1-azabicyclo[2.2.2]octan-3-yl)methyl]-4-(methanesulfonamido)-2-methoxybenzamide IUPAC Name: (E)-but-2-enedioic acid; 5-chloro-N-[(3-hydroxy-1-azabicyclo[2.2.2]octan-3-yl)methyl]-4-(methanesulfonamido)-2-methoxybenzamide Traditional Name: 5-chloro-N-[(3-hydroxyquinuclidin-3-yl)methyl]-4-(methanesulfonamido)-2-methoxy-benzamide; fumaric acid Formula: C21H28ClN3O9S MolecularWeight: 533.97972

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1C(=O)NCC2(CN3CCC2CC3)O)Cl)NS(=O)(=O)C.C(=CC(=O)O)C(=O)O

Isomeric SMILES

COC1=CC(=C(C=C1C(=O)NCC2(CN3CCC2CC3)O)Cl)NS(=O)(=O)C.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C17H24ClN3O5S.C4H4O4/c1-26-15-8-14(20-27(2,24)25)13(18)7-12(15)16(22)19-9-17(23)10-21-5-3-11(17)4-6-21;5-3(6)1-2-4(7)8/h7-8,11,20,23H,3-6,9-10H2,1-2H3,(H,19,22);1-2H,(H,5,6)(H,7,8)/b;2-1+