phenanthridin-6-ylmethyl 3-(diethylsulfamoyl)-4-fluoranyl-benzoate

Systemtic Name: phenanthridin-6-ylmethyl 3-(diethylsulfamoyl)-4-fluoranyl-benzoate Openeye Name: phenanthridin-6-ylmethyl 3-(diethylsulfamoyl)-4-fluoro-benzoate CAS Name: 3-(diethylsulfamoyl)-4-fluorobenzoic acid 6-phenanthridinylmethyl ester IUPAC Name: phenanthridin-6-ylmethyl 3-(diethylsulfamoyl)-4-fluorobenzoate Traditional Name: 3-(diethylsulfamoyl)-4-fluoro-benzoic acid phenanthridin-6-ylmethyl ester Formula: C25H23FN2O4S MolecularWeight: 466.524523

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=C(C=CC(=C1)C(=O)OCC2=NC3=CC=CC=C3C4=CC=CC=C42)F

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=C(C=CC(=C1)C(=O)OCC2=NC3=CC=CC=C3C4=CC=CC=C42)F

InChI

InChI=1S/C25H23FN2O4S/c1-3-28(4-2)33(30,31)24-15-17(13-14-21(24)26)25(29)32-16-23-20-11-6-5-9-18(20)19-10-7-8-12-22(19)27-23/h5-15H,3-4,16H2,1-2H3