[2-[(3-chloranyl-4-fluoranyl-phenyl)amino]-2-oxidanylidene-ethyl] 5-(dimethylsulfamoyl)-2-piperidin-1-yl-benzoate

Systemtic Name: [2-[(3-chloranyl-4-fluoranyl-phenyl)amino]-2-oxidanylidene-ethyl] 5-(dimethylsulfamoyl)-2-piperidin-1-yl-benzoate Openeye Name: [2-(3-chloro-4-fluoro-anilino)-2-oxo-ethyl] 5-(dimethylsulfamoyl)-2-(1-piperidyl)benzoate CAS Name: 5-(dimethylsulfamoyl)-2-(1-piperidinyl)benzoic acid [2-(3-chloro-4-fluoroanilino)-2-oxoethyl] ester IUPAC Name: [2-(3-chloro-4-fluoroanilino)-2-oxoethyl] 5-(dimethylsulfamoyl)-2-piperidin-1-ylbenzoate Traditional Name: 5-(dimethylsulfamoyl)-2-piperidino-benzoic acid [2-(3-chloro-4-fluoro-anilino)-2-keto-ethyl] ester Formula: C22H25ClFN3O5S MolecularWeight: 497.967403

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)S(=O)(=O)C1=CC(=C(C=C1)N2CCCCC2)C(=O)OCC(=O)NC3=CC(=C(C=C3)F)Cl

Isomeric SMILES

CN(C)S(=O)(=O)C1=CC(=C(C=C1)N2CCCCC2)C(=O)OCC(=O)NC3=CC(=C(C=C3)F)Cl

InChI

InChI=1S/C22H25ClFN3O5S/c1-26(2)33(30,31)16-7-9-20(27-10-4-3-5-11-27)17(13-16)22(29)32-14-21(28)25-15-6-8-19(24)18(23)12-15/h6-9,12-13H,3-5,10-11,14H2,1-2H3,(H,25,28)