[1-[[5-(dimethylsulfamoyl)-2-methyl-phenyl]amino]-1-oxidanylidene-propan-2-yl] 3-bromanylbenzoate

Systemtic Name: [1-[[5-(dimethylsulfamoyl)-2-methyl-phenyl]amino]-1-oxidanylidene-propan-2-yl] 3-bromanylbenzoate Openeye Name: [2-[5-(dimethylsulfamoyl)-2-methyl-anilino]-1-methyl-2-oxo-ethyl] 3-bromobenzoate CAS Name: 3-bromobenzoic acid [1-[5-(dimethylsulfamoyl)-2-methylanilino]-1-oxopropan-2-yl] ester IUPAC Name: [1-[5-(dimethylsulfamoyl)-2-methylanilino]-1-oxopropan-2-yl] 3-bromobenzoate Traditional Name: 3-bromobenzoic acid [2-[5-(dimethylsulfamoyl)-2-methyl-anilino]-2-keto-1-methyl-ethyl] ester Formula: C19H21BrN2O5S MolecularWeight: 469.34944

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N(C)C)NC(=O)C(C)OC(=O)C2=CC(=CC=C2)Br

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N(C)C)NC(=O)C(C)OC(=O)C2=CC(=CC=C2)Br

InChI

InChI=1S/C19H21BrN2O5S/c1-12-8-9-16(28(25,26)22(3)4)11-17(12)21-18(23)13(2)27-19(24)14-6-5-7-15(20)10-14/h5-11,13H,1-4H3,(H,21,23)