[1-oxidanylidene-1-(2,4,5-trimethylphenyl)propan-2-yl] 4-(prop-2-ynylsulfamoyl)benzoate

Systemtic Name: [1-oxidanylidene-1-(2,4,5-trimethylphenyl)propan-2-yl] 4-(prop-2-ynylsulfamoyl)benzoate Openeye Name: [1-methyl-2-oxo-2-(2,4,5-trimethylphenyl)ethyl] 4-(prop-2-ynylsulfamoyl)benzoate CAS Name: 4-(prop-2-ynylsulfamoyl)benzoic acid [1-oxo-1-(2,4,5-trimethylphenyl)propan-2-yl] ester IUPAC Name: [1-oxo-1-(2,4,5-trimethylphenyl)propan-2-yl] 4-(prop-2-ynylsulfamoyl)benzoate Traditional Name: 4-(propargylsulfamoyl)benzoic acid [2-keto-1-methyl-2-(2,4,5-trimethylphenyl)ethyl] ester Formula: C22H23NO5S MolecularWeight: 413.48672

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C(=O)C(C)OC(=O)C2=CC=C(C=C2)S(=O)(=O)NCC#C)C)C

Isomeric SMILES

CC1=CC(=C(C=C1C(=O)C(C)OC(=O)C2=CC=C(C=C2)S(=O)(=O)NCC#C)C)C

InChI

InChI=1S/C22H23NO5S/c1-6-11-23-29(26,27)19-9-7-18(8-10-19)22(25)28-17(5)21(24)20-13-15(3)14(2)12-16(20)4/h1,7-10,12-13,17,23H,11H2,2-5H3