10-methyl-N-(2-nitrophenyl)sulfonyl-N-propan-2-yl-acridin-10-ium-9-carboxamide; tris(fluoranyl)methanesulfonate

Systemtic Name: 10-methyl-N-(2-nitrophenyl)sulfonyl-N-propan-2-yl-acridin-10-ium-9-carboxamide; tris(fluoranyl)methanesulfonate Openeye Name: N-isopropyl-10-methyl-N-(2-nitrophenyl)sulfonyl-acridin-10-ium-9-carboxamide; trifluoromethanesulfonate CAS Name: 10-methyl-N-(2-nitrophenyl)sulfonyl-N-propan-2-yl-9-acridin-10-iumcarboxamide; trifluoromethanesulfonate IUPAC Name: 10-methyl-N-(2-nitrophenyl)sulfonyl-N-propan-2-ylacridin-10-ium-9-carboxamide; trifluoromethanesulfonate Traditional Name: N-isopropyl-10-methyl-N-(2-nitrophenyl)sulfonyl-acridin-10-ium-9-carboxamide triflate Formula: C25H22F3N3O8S2 MolecularWeight: 613.58269

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N(C(=O)C1=C2C=CC=CC2=[N+](C3=CC=CC=C31)C)S(=O)(=O)C4=CC=CC=C4[N+](=O)[O-].C(F)(F)(F)S(=O)(=O)[O-]

Isomeric SMILES

CC(C)N(C(=O)C1=C2C=CC=CC2=[N+](C3=CC=CC=C31)C)S(=O)(=O)C4=CC=CC=C4[N+](=O)[O-].C(F)(F)(F)S(=O)(=O)[O-]

InChI

InChI=1S/C24H22N3O5S.CHF3O3S/c1-16(2)26(33(31,32)22-15-9-8-14-21(22)27(29)30)24(28)23-17-10-4-6-12-19(17)25(3)20-13-7-5-11-18(20)23;2-1(3,4)8(5,6)7/h4-16H,1-3H3;(H,5,6,7)/q+1;/p-1