[(2S)-1-oxidanylidene-1-[[4-(propan-2-ylsulfamoyl)phenyl]amino]propan-2-yl] 4-phenoxybutanoate

Systemtic Name: [(2S)-1-oxidanylidene-1-[[4-(propan-2-ylsulfamoyl)phenyl]amino]propan-2-yl] 4-phenoxybutanoate Openeye Name: [(1S)-2-[4-(isopropylsulfamoyl)anilino]-1-methyl-2-oxo-ethyl] 4-phenoxybutanoate CAS Name: 4-phenoxybutanoic acid [(2S)-1-oxo-1-[4-(propan-2-ylsulfamoyl)anilino]propan-2-yl] ester IUPAC Name: [(2S)-1-oxo-1-[4-(propan-2-ylsulfamoyl)anilino]propan-2-yl] 4-phenoxybutanoate Traditional Name: 4-phenoxybutyric acid [(1S)-2-[4-(isopropylsulfamoyl)anilino]-2-keto-1-methyl-ethyl] ester Formula: C22H28N2O6S MolecularWeight: 448.53252

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NS(=O)(=O)C1=CC=C(C=C1)NC(=O)C(C)OC(=O)CCCOC2=CC=CC=C2

Isomeric SMILES

C[C@@H](C(=O)NC1=CC=C(C=C1)S(=O)(=O)NC(C)C)OC(=O)CCCOC2=CC=CC=C2

InChI

InChI=1S/C22H28N2O6S/c1-16(2)24-31(27,28)20-13-11-18(12-14-20)23-22(26)17(3)30-21(25)10-7-15-29-19-8-5-4-6-9-19/h4-6,8-9,11-14,16-17,24H,7,10,15H2,1-3H3,(H,23,26)/t17-/m0/s1