[2-oxidanylidene-2-(2,4,6-trimethylphenyl)ethyl] 3-(prop-2-ynylsulfamoyl)benzoate

Systemtic Name: [2-oxidanylidene-2-(2,4,6-trimethylphenyl)ethyl] 3-(prop-2-ynylsulfamoyl)benzoate Openeye Name: [2-oxo-2-(2,4,6-trimethylphenyl)ethyl] 3-(prop-2-ynylsulfamoyl)benzoate CAS Name: 3-(prop-2-ynylsulfamoyl)benzoic acid [2-oxo-2-(2,4,6-trimethylphenyl)ethyl] ester IUPAC Name: [2-oxo-2-(2,4,6-trimethylphenyl)ethyl] 3-(prop-2-ynylsulfamoyl)benzoate Traditional Name: 3-(propargylsulfamoyl)benzoic acid (2-keto-2-mesityl-ethyl) ester Formula: C21H21NO5S MolecularWeight: 399.46014

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)C(=O)COC(=O)C2=CC(=CC=C2)S(=O)(=O)NCC#C)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)C(=O)COC(=O)C2=CC(=CC=C2)S(=O)(=O)NCC#C)C

InChI

InChI=1S/C21H21NO5S/c1-5-9-22-28(25,26)18-8-6-7-17(12-18)21(24)27-13-19(23)20-15(3)10-14(2)11-16(20)4/h1,6-8,10-12,22H,9,13H2,2-4H3