[(1S)-2-(cyclopropylamino)-2-oxidanylidene-1-phenyl-ethyl] 5-(dimethylsulfamoyl)-2-(2-hydroxyethylamino)benzoate

Systemtic Name: [(1S)-2-(cyclopropylamino)-2-oxidanylidene-1-phenyl-ethyl] 5-(dimethylsulfamoyl)-2-(2-hydroxyethylamino)benzoate Openeye Name: [(1S)-2-(cyclopropylamino)-2-oxo-1-phenyl-ethyl] 5-(dimethylsulfamoyl)-2-(2-hydroxyethylamino)benzoate CAS Name: 5-(dimethylsulfamoyl)-2-(2-hydroxyethylamino)benzoic acid [(1S)-2-(cyclopropylamino)-2-oxo-1-phenylethyl] ester IUPAC Name: [(1S)-2-(cyclopropylamino)-2-oxo-1-phenylethyl] 5-(dimethylsulfamoyl)-2-(2-hydroxyethylamino)benzoate Traditional Name: 5-(dimethylsulfamoyl)-2-(2-hydroxyethylamino)benzoic acid [(1S)-2-(cyclopropylamino)-2-keto-1-phenyl-ethyl] ester Formula: C22H27N3O6S MolecularWeight: 461.53128

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)S(=O)(=O)C1=CC(=C(C=C1)NCCO)C(=O)OC(C2=CC=CC=C2)C(=O)NC3CC3

Isomeric SMILES

CN(C)S(=O)(=O)C1=CC(=C(C=C1)NCCO)C(=O)O[C@@H](C2=CC=CC=C2)C(=O)NC3CC3

InChI

InChI=1S/C22H27N3O6S/c1-25(2)32(29,30)17-10-11-19(23-12-13-26)18(14-17)22(28)31-20(15-6-4-3-5-7-15)21(27)24-16-8-9-16/h3-7,10-11,14,16,20,23,26H,8-9,12-13H2,1-2H3,(H,24,27)/t20-/m0/s1