[2,2,5,5-tetramethyl-3-[[2-(trifluoromethyl)phenothiazin-10-yl]methyl]pyrrol-1-yl] methanesulfonate

Systemtic Name: [2,2,5,5-tetramethyl-3-[[2-(trifluoromethyl)phenothiazin-10-yl]methyl]pyrrol-1-yl] methanesulfonate Openeye Name: [2,2,5,5-tetramethyl-3-[[2-(trifluoromethyl)phenothiazin-10-yl]methyl]pyrrol-1-yl] methanesulfonate CAS Name: methanesulfonic acid [2,2,5,5-tetramethyl-3-[[2-(trifluoromethyl)-10-phenothiazinyl]methyl]-1-pyrrolyl] ester IUPAC Name: [2,2,5,5-tetramethyl-3-[[2-(trifluoromethyl)phenothiazin-10-yl]methyl]pyrrol-1-yl] methanesulfonate Traditional Name: methanesulfonic acid [2,2,5,5-tetramethyl-3-[[2-(trifluoromethyl)phenothiazin-10-yl]methyl]-3-pyrrolin-1-yl] ester Formula: C23H25F3N2O3S2 MolecularWeight: 498.58141

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C=C(C(N1OS(=O)(=O)C)(C)C)CN2C3=CC=CC=C3SC4=C2C=C(C=C4)C(F)(F)F)C

Isomeric SMILES

CC1(C=C(C(N1OS(=O)(=O)C)(C)C)CN2C3=CC=CC=C3SC4=C2C=C(C=C4)C(F)(F)F)C

InChI

InChI=1S/C23H25F3N2O3S2/c1-21(2)13-16(22(3,4)28(21)31-33(5,29)30)14-27-17-8-6-7-9-19(17)32-20-11-10-15(12-18(20)27)23(24,25)26/h6-13H,14H2,1-5H3