(2-oxidanylidene-2-phenothiazin-10-yl-ethyl) 5-[(2-fluorophenyl)sulfamoyl]-2,3-dimethoxy-benzoate

Systemtic Name: (2-oxidanylidene-2-phenothiazin-10-yl-ethyl) 5-[(2-fluorophenyl)sulfamoyl]-2,3-dimethoxy-benzoate Openeye Name: (2-oxo-2-phenothiazin-10-yl-ethyl) 5-[(2-fluorophenyl)sulfamoyl]-2,3-dimethoxy-benzoate CAS Name: 5-[(2-fluorophenyl)sulfamoyl]-2,3-dimethoxybenzoic acid [2-oxo-2-(10-phenothiazinyl)ethyl] ester IUPAC Name: (2-oxo-2-phenothiazin-10-ylethyl) 5-[(2-fluorophenyl)sulfamoyl]-2,3-dimethoxybenzoate Traditional Name: 5-[(2-fluorophenyl)sulfamoyl]-2,3-dimethoxy-benzoic acid (2-keto-2-phenothiazin-10-yl-ethyl) ester Formula: C29H23FN2O7S2 MolecularWeight: 594.630523

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)S(=O)(=O)NC2=CC=CC=C2F)C(=O)OCC(=O)N3C4=CC=CC=C4SC5=CC=CC=C53)OC

Isomeric SMILES

COC1=C(C(=CC(=C1)S(=O)(=O)NC2=CC=CC=C2F)C(=O)OCC(=O)N3C4=CC=CC=C4SC5=CC=CC=C53)OC

InChI

InChI=1S/C29H23FN2O7S2/c1-37-24-16-18(41(35,36)31-21-10-4-3-9-20(21)30)15-19(28(24)38-2)29(34)39-17-27(33)32-22-11-5-7-13-25(22)40-26-14-8-6-12-23(26)32/h3-16,31H,17H2,1-2H3