[2-[[5-(dimethylsulfamoyl)-2-methyl-phenyl]amino]-2-oxidanylidene-ethyl] 2-fluoranyl-5-morpholin-4-ylsulfonyl-benzoate

Systemtic Name: [2-[[5-(dimethylsulfamoyl)-2-methyl-phenyl]amino]-2-oxidanylidene-ethyl] 2-fluoranyl-5-morpholin-4-ylsulfonyl-benzoate Openeye Name: [2-[5-(dimethylsulfamoyl)-2-methyl-anilino]-2-oxo-ethyl] 2-fluoro-5-morpholinosulfonyl-benzoate CAS Name: 2-fluoro-5-(4-morpholinylsulfonyl)benzoic acid [2-[5-(dimethylsulfamoyl)-2-methylanilino]-2-oxoethyl] ester IUPAC Name: [2-[5-(dimethylsulfamoyl)-2-methylanilino]-2-oxoethyl] 2-fluoro-5-morpholin-4-ylsulfonylbenzoate Traditional Name: 2-fluoro-5-morpholinosulfonyl-benzoic acid [2-[5-(dimethylsulfamoyl)-2-methyl-anilino]-2-keto-ethyl] ester Formula: C22H26FN3O8S2 MolecularWeight: 543.585543

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N(C)C)NC(=O)COC(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCOCC3)F

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N(C)C)NC(=O)COC(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCOCC3)F

InChI

InChI=1S/C22H26FN3O8S2/c1-15-4-5-17(35(29,30)25(2)3)13-20(15)24-21(27)14-34-22(28)18-12-16(6-7-19(18)23)36(31,32)26-8-10-33-11-9-26/h4-7,12-13H,8-11,14H2,1-3H3,(H,24,27)