[2-(4-tert-butylphenyl)-2-oxidanylidene-ethyl] 3-(prop-2-ynylsulfamoyl)benzoate

Systemtic Name: [2-(4-tert-butylphenyl)-2-oxidanylidene-ethyl] 3-(prop-2-ynylsulfamoyl)benzoate Openeye Name: [2-(4-tert-butylphenyl)-2-oxo-ethyl] 3-(prop-2-ynylsulfamoyl)benzoate CAS Name: 3-(prop-2-ynylsulfamoyl)benzoic acid [2-(4-tert-butylphenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-tert-butylphenyl)-2-oxoethyl] 3-(prop-2-ynylsulfamoyl)benzoate Traditional Name: 3-(propargylsulfamoyl)benzoic acid [2-(4-tert-butylphenyl)-2-keto-ethyl] ester Formula: C22H23NO5S MolecularWeight: 413.48672

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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