methanesulfonic acid; N-[3-methoxy-4-[[3-(trifluoromethyl)acridin-9-yl]amino]phenyl]methanesulfonamide

Systemtic Name: methanesulfonic acid; N-[3-methoxy-4-[[3-(trifluoromethyl)acridin-9-yl]amino]phenyl]methanesulfonamide Openeye Name: methanesulfonic acid; N-[3-methoxy-4-[[3-(trifluoromethyl)acridin-9-yl]amino]phenyl]methanesulfonamide CAS Name: methanesulfonic acid; N-[3-methoxy-4-[[3-(trifluoromethyl)-9-acridinyl]amino]phenyl]methanesulfonamide IUPAC Name: methanesulfonic acid; N-[3-methoxy-4-[[3-(trifluoromethyl)acridin-9-yl]amino]phenyl]methanesulfonamide Traditional Name: mesylic acid; N-[3-methoxy-4-[[3-(trifluoromethyl)acridin-9-yl]amino]phenyl]methanesulfonamide Formula: C23H22F3N3O6S2 MolecularWeight: 557.56249

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)NS(=O)(=O)C)NC2=C3C=CC(=CC3=NC4=CC=CC=C42)C(F)(F)F.CS(=O)(=O)O

Isomeric SMILES

COC1=C(C=CC(=C1)NS(=O)(=O)C)NC2=C3C=CC(=CC3=NC4=CC=CC=C42)C(F)(F)F.CS(=O)(=O)O

InChI

InChI=1S/C22H18F3N3O3S.CH4O3S/c1-31-20-12-14(28-32(2,29)30)8-10-18(20)27-21-15-5-3-4-6-17(15)26-19-11-13(22(23,24)25)7-9-16(19)21;1-5(2,3)4/h3-12,28H,1-2H3,(H,26,27);1H3,(H,2,3,4)