[2-[(5-fluoranyl-2-methyl-phenyl)amino]-2-oxidanylidene-ethyl] 5-(dimethylsulfamoyl)-2-pyrrolidin-1-yl-benzoate

Systemtic Name: [2-[(5-fluoranyl-2-methyl-phenyl)amino]-2-oxidanylidene-ethyl] 5-(dimethylsulfamoyl)-2-pyrrolidin-1-yl-benzoate Openeye Name: [2-(5-fluoro-2-methyl-anilino)-2-oxo-ethyl] 5-(dimethylsulfamoyl)-2-pyrrolidin-1-yl-benzoate CAS Name: 5-(dimethylsulfamoyl)-2-(1-pyrrolidinyl)benzoic acid [2-(5-fluoro-2-methylanilino)-2-oxoethyl] ester IUPAC Name: [2-(5-fluoro-2-methylanilino)-2-oxoethyl] 5-(dimethylsulfamoyl)-2-pyrrolidin-1-ylbenzoate Traditional Name: 5-(dimethylsulfamoyl)-2-pyrrolidino-benzoic acid [2-(5-fluoro-2-methyl-anilino)-2-keto-ethyl] ester Formula: C22H26FN3O5S MolecularWeight: 463.522343

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)F)NC(=O)COC(=O)C2=C(C=CC(=C2)S(=O)(=O)N(C)C)N3CCCC3

Isomeric SMILES

CC1=C(C=C(C=C1)F)NC(=O)COC(=O)C2=C(C=CC(=C2)S(=O)(=O)N(C)C)N3CCCC3

InChI

InChI=1S/C22H26FN3O5S/c1-15-6-7-16(23)12-19(15)24-21(27)14-31-22(28)18-13-17(32(29,30)25(2)3)8-9-20(18)26-10-4-5-11-26/h6-9,12-13H,4-5,10-11,14H2,1-3H3,(H,24,27)