[7-[[2-(dimethylsulfamoyl)-4-fluoranyl-phenyl]methylcarbamoyl]-1,6-naphthyridin-8-yl] 3-bromanyl-4-methyl-benzenesulfonate

Systemtic Name: [7-[[2-(dimethylsulfamoyl)-4-fluoranyl-phenyl]methylcarbamoyl]-1,6-naphthyridin-8-yl] 3-bromanyl-4-methyl-benzenesulfonate Openeye Name: [7-[[2-(dimethylsulfamoyl)-4-fluoro-phenyl]methylcarbamoyl]-1,6-naphthyridin-8-yl] 3-bromo-4-methyl-benzenesulfonate CAS Name: 3-bromo-4-methylbenzenesulfonic acid [7-[[[2-(dimethylsulfamoyl)-4-fluorophenyl]methylamino]-oxomethyl]-1,6-naphthyridin-8-yl] ester IUPAC Name: [7-[[2-(dimethylsulfamoyl)-4-fluorophenyl]methylcarbamoyl]-1,6-naphthyridin-8-yl] 3-bromo-4-methylbenzenesulfonate Traditional Name: 3-bromo-4-methyl-benzenesulfonic acid [7-[[2-(dimethylsulfamoyl)-4-fluoro-benzyl]carbamoyl]-1,6-naphthyridin-8-yl] ester Formula: C25H22BrFN4O6S2 MolecularWeight: 637.497783

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)OC2=C3C(=CN=C2C(=O)NCC4=C(C=C(C=C4)F)S(=O)(=O)N(C)C)C=CC=N3)Br

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)OC2=C3C(=CN=C2C(=O)NCC4=C(C=C(C=C4)F)S(=O)(=O)N(C)C)C=CC=N3)Br

InChI

InChI=1S/C25H22BrFN4O6S2/c1-15-6-9-19(12-20(15)26)39(35,36)37-24-22-17(5-4-10-28-22)14-29-23(24)25(32)30-13-16-7-8-18(27)11-21(16)38(33,34)31(2)3/h4-12,14H,13H2,1-3H3,(H,30,32)