(2-oxidanylidene-2-phenothiazin-10-yl-ethyl) 4-methyl-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]pentanoate

Systemtic Name: (2-oxidanylidene-2-phenothiazin-10-yl-ethyl) 4-methyl-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]pentanoate Openeye Name: (2-oxo-2-phenothiazin-10-yl-ethyl) 4-methyl-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]pentanoate CAS Name: 4-methyl-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]pentanoic acid [2-oxo-2-(10-phenothiazinyl)ethyl] ester IUPAC Name: (2-oxo-2-phenothiazin-10-ylethyl) 4-methyl-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]pentanoate Traditional Name: 4-methyl-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]valeric acid (2-keto-2-phenothiazin-10-yl-ethyl) ester Formula: C27H25F3N2O5S2 MolecularWeight: 578.62301

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)OCC(=O)N1C2=CC=CC=C2SC3=CC=CC=C31)NS(=O)(=O)C4=CC=CC(=C4)C(F)(F)F

Isomeric SMILES

CC(C)CC(C(=O)OCC(=O)N1C2=CC=CC=C2SC3=CC=CC=C31)NS(=O)(=O)C4=CC=CC(=C4)C(F)(F)F

InChI

InChI=1S/C27H25F3N2O5S2/c1-17(2)14-20(31-39(35,36)19-9-7-8-18(15-19)27(28,29)30)26(34)37-16-25(33)32-21-10-3-5-12-23(21)38-24-13-6-4-11-22(24)32/h3-13,15,17,20,31H,14,16H2,1-2H3