[(2S)-1-(4-ethylphenyl)-1-oxidanylidene-propan-2-yl] 5-(dimethylsulfamoyl)-2-(2-hydroxyethylamino)benzoate

Systemtic Name: [(2S)-1-(4-ethylphenyl)-1-oxidanylidene-propan-2-yl] 5-(dimethylsulfamoyl)-2-(2-hydroxyethylamino)benzoate Openeye Name: [(1S)-2-(4-ethylphenyl)-1-methyl-2-oxo-ethyl] 5-(dimethylsulfamoyl)-2-(2-hydroxyethylamino)benzoate CAS Name: 5-(dimethylsulfamoyl)-2-(2-hydroxyethylamino)benzoic acid [(2S)-1-(4-ethylphenyl)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(4-ethylphenyl)-1-oxopropan-2-yl] 5-(dimethylsulfamoyl)-2-(2-hydroxyethylamino)benzoate Traditional Name: 5-(dimethylsulfamoyl)-2-(2-hydroxyethylamino)benzoic acid [(1S)-2-(4-ethylphenyl)-2-keto-1-methyl-ethyl] ester Formula: C22H28N2O6S MolecularWeight: 448.53252

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(=O)C(C)OC(=O)C2=C(C=CC(=C2)S(=O)(=O)N(C)C)NCCO

Isomeric SMILES

CCC1=CC=C(C=C1)C(=O)[C@H](C)OC(=O)C2=C(C=CC(=C2)S(=O)(=O)N(C)C)NCCO

InChI

InChI=1S/C22H28N2O6S/c1-5-16-6-8-17(9-7-16)21(26)15(2)30-22(27)19-14-18(31(28,29)24(3)4)10-11-20(19)23-12-13-25/h6-11,14-15,23,25H,5,12-13H2,1-4H3/t15-/m0/s1