[(2S)-1-oxidanylidene-1-[[4-(propan-2-ylsulfamoyl)phenyl]amino]propan-2-yl] 3-acetamidobenzoate

Systemtic Name: [(2S)-1-oxidanylidene-1-[[4-(propan-2-ylsulfamoyl)phenyl]amino]propan-2-yl] 3-acetamidobenzoate Openeye Name: [(1S)-2-[4-(isopropylsulfamoyl)anilino]-1-methyl-2-oxo-ethyl] 3-acetamidobenzoate CAS Name: 3-acetamidobenzoic 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] 3-acetamidobenzoate Traditional Name: 3-acetamidobenzoic acid [(1S)-2-[4-(isopropylsulfamoyl)anilino]-2-keto-1-methyl-ethyl] ester Formula: C21H25N3O6S MolecularWeight: 447.5047

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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)C2=CC(=CC=C2)NC(=O)C

Isomeric SMILES

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

InChI

InChI=1S/C21H25N3O6S/c1-13(2)24-31(28,29)19-10-8-17(9-11-19)23-20(26)14(3)30-21(27)16-6-5-7-18(12-16)22-15(4)25/h5-14,24H,1-4H3,(H,22,25)(H,23,26)/t14-/m0/s1