10-methyl-N-(4-methylphenyl)sulfonyl-N-phenyl-acridin-10-ium-9-carboxamide; tris(fluoranyl)methanesulfonate

Systemtic Name: 10-methyl-N-(4-methylphenyl)sulfonyl-N-phenyl-acridin-10-ium-9-carboxamide; tris(fluoranyl)methanesulfonate Openeye Name: 10-methyl-N-phenyl-N-(p-tolylsulfonyl)acridin-10-ium-9-carboxamide; trifluoromethanesulfonate CAS Name: 10-methyl-N-(4-methylphenyl)sulfonyl-N-phenyl-9-acridin-10-iumcarboxamide; trifluoromethanesulfonate IUPAC Name: 10-methyl-N-(4-methylphenyl)sulfonyl-N-phenylacridin-10-ium-9-carboxamide; trifluoromethanesulfonate Traditional Name: 10-methyl-N-phenyl-N-tosyl-acridin-10-ium-9-carboxamide triflate Formula: C29H23F3N2O6S2 MolecularWeight: 616.62793

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N(C2=CC=CC=C2)C(=O)C3=C4C=CC=CC4=[N+](C5=CC=CC=C53)C.C(F)(F)(F)S(=O)(=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N(C2=CC=CC=C2)C(=O)C3=C4C=CC=CC4=[N+](C5=CC=CC=C53)C.C(F)(F)(F)S(=O)(=O)[O-]

InChI

InChI=1S/C28H23N2O3S.CHF3O3S/c1-20-16-18-22(19-17-20)34(32,33)30(21-10-4-3-5-11-21)28(31)27-23-12-6-8-14-25(23)29(2)26-15-9-7-13-24(26)27;2-1(3,4)8(5,6)7/h3-19H,1-2H3;(H,5,6,7)/q+1;/p-1