(2-oxidanylidene-2-phenothiazin-10-yl-ethyl) 4-[bis(fluoranyl)methylsulfonyl]benzoate

Systemtic Name: (2-oxidanylidene-2-phenothiazin-10-yl-ethyl) 4-[bis(fluoranyl)methylsulfonyl]benzoate Openeye Name: (2-oxo-2-phenothiazin-10-yl-ethyl) 4-(difluoromethylsulfonyl)benzoate CAS Name: 4-(difluoromethylsulfonyl)benzoic acid [2-oxo-2-(10-phenothiazinyl)ethyl] ester IUPAC Name: (2-oxo-2-phenothiazin-10-ylethyl) 4-(difluoromethylsulfonyl)benzoate Traditional Name: 4-(difluoromethylsulfonyl)benzoic acid (2-keto-2-phenothiazin-10-yl-ethyl) ester Formula: C22H15F2NO5S2 MolecularWeight: 475.485006

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N(C3=CC=CC=C3S2)C(=O)COC(=O)C4=CC=C(C=C4)S(=O)(=O)C(F)F

Isomeric SMILES

C1=CC=C2C(=C1)N(C3=CC=CC=C3S2)C(=O)COC(=O)C4=CC=C(C=C4)S(=O)(=O)C(F)F

InChI

InChI=1S/C22H15F2NO5S2/c23-22(24)32(28,29)15-11-9-14(10-12-15)21(27)30-13-20(26)25-16-5-1-3-7-18(16)31-19-8-4-2-6-17(19)25/h1-12,22H,13H2