(E)-but-2-enedioic acid; 6-fluoranyl-N-[1-[4-(4-fluoranylphenoxy)butyl]piperidin-4-yl]-N-methyl-4H-3,1-benzothiazin-2-amine

Systemtic Name: (E)-but-2-enedioic acid; 6-fluoranyl-N-[1-[4-(4-fluoranylphenoxy)butyl]piperidin-4-yl]-N-methyl-4H-3,1-benzothiazin-2-amine Openeye Name: 6-fluoro-N-[1-[4-(4-fluorophenoxy)butyl]-4-piperidyl]-N-methyl-4H-3,1-benzothiazin-2-amine; fumaric acid CAS Name: (E)-2-butenedioic acid; 6-fluoro-N-[1-[4-(4-fluorophenoxy)butyl]-4-piperidinyl]-N-methyl-4H-3,1-benzothiazin-2-amine IUPAC Name: (E)-but-2-enedioic acid; 6-fluoro-N-[1-[4-(4-fluorophenoxy)butyl]piperidin-4-yl]-N-methyl-4H-3,1-benzothiazin-2-amine Traditional Name: (6-fluoro-4H-3,1-benzothiazin-2-yl)-[1-[4-(4-fluorophenoxy)butyl]-4-piperidyl]-methyl-amine; fumaric acid Formula: C28H33F2N3O5S MolecularWeight: 561.640526

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1CCN(CC1)CCCCOC2=CC=C(C=C2)F)C3=NC4=C(CS3)C=C(C=C4)F.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CN(C1CCN(CC1)CCCCOC2=CC=C(C=C2)F)C3=NC4=C(CS3)C=C(C=C4)F.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C24H29F2N3OS.C4H4O4/c1-28(24-27-23-9-6-20(26)16-18(23)17-31-24)21-10-13-29(14-11-21)12-2-3-15-30-22-7-4-19(25)5-8-22;5-3(6)1-2-4(7)8/h4-9,16,21H,2-3,10-15,17H2,1H3;1-2H,(H,5,6)(H,7,8)/b;2-1+