1-(4-bromophenyl)sulfonylacridin-10-ium-9-carboxamide; tris(fluoranyl)methanesulfonate

Systemtic Name: 1-(4-bromophenyl)sulfonylacridin-10-ium-9-carboxamide; tris(fluoranyl)methanesulfonate Openeye Name: 1-(4-bromophenyl)sulfonylacridin-10-ium-9-carboxamide; trifluoromethanesulfonate CAS Name: 1-(4-bromophenyl)sulfonyl-9-acridin-10-iumcarboxamide; trifluoromethanesulfonate IUPAC Name: 1-(4-bromophenyl)sulfonylacridin-10-ium-9-carboxamide; trifluoromethanesulfonate Traditional Name: 1-brosylacridin-10-ium-9-carboxamide triflate Formula: C21H14BrF3N2O6S2 MolecularWeight: 591.37487

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=C3C(=[NH+]2)C=CC=C3S(=O)(=O)C4=CC=C(C=C4)Br)C(=O)N.C(F)(F)(F)S(=O)(=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)C(=C3C(=[NH+]2)C=CC=C3S(=O)(=O)C4=CC=C(C=C4)Br)C(=O)N.C(F)(F)(F)S(=O)(=O)[O-]

InChI

InChI=1S/C20H13BrN2O3S.CHF3O3S/c21-12-8-10-13(11-9-12)27(25,26)17-7-3-6-16-19(17)18(20(22)24)14-4-1-2-5-15(14)23-16;2-1(3,4)8(5,6)7/h1-11H,(H2,22,24);(H,5,6,7)