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

Systemtic Name: [(2S)-1-oxidanylidene-1-[[4-(propan-2-ylsulfamoyl)phenyl]amino]propan-2-yl] 3-cyanobenzoate Openeye Name: [(1S)-2-[4-(isopropylsulfamoyl)anilino]-1-methyl-2-oxo-ethyl] 3-cyanobenzoate CAS Name: 3-cyanobenzoic 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-cyanobenzoate Traditional Name: 3-cyanobenzoic acid [(1S)-2-[4-(isopropylsulfamoyl)anilino]-2-keto-1-methyl-ethyl] ester Formula: C20H21N3O5S MolecularWeight: 415.46284

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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)C#N

Isomeric SMILES

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

InChI

InChI=1S/C20H21N3O5S/c1-13(2)23-29(26,27)18-9-7-17(8-10-18)22-19(24)14(3)28-20(25)16-6-4-5-15(11-16)12-21/h4-11,13-14,23H,1-3H3,(H,22,24)/t14-/m0/s1