[1-(1-adamantyl)-1-oxidanylidene-propan-2-yl] 4-(prop-2-ynylsulfamoyl)benzoate

Systemtic Name: [1-(1-adamantyl)-1-oxidanylidene-propan-2-yl] 4-(prop-2-ynylsulfamoyl)benzoate Openeye Name: [2-(1-adamantyl)-1-methyl-2-oxo-ethyl] 4-(prop-2-ynylsulfamoyl)benzoate CAS Name: 4-(prop-2-ynylsulfamoyl)benzoic acid [1-(1-adamantyl)-1-oxopropan-2-yl] ester IUPAC Name: [1-(1-adamantyl)-1-oxopropan-2-yl] 4-(prop-2-ynylsulfamoyl)benzoate Traditional Name: 4-(propargylsulfamoyl)benzoic acid [2-(1-adamantyl)-2-keto-1-methyl-ethyl] ester Formula: C23H27NO5S MolecularWeight: 429.52918

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C12CC3CC(C1)CC(C3)C2)OC(=O)C4=CC=C(C=C4)S(=O)(=O)NCC#C

Isomeric SMILES

CC(C(=O)C12CC3CC(C1)CC(C3)C2)OC(=O)C4=CC=C(C=C4)S(=O)(=O)NCC#C

InChI

InChI=1S/C23H27NO5S/c1-3-8-24-30(27,28)20-6-4-19(5-7-20)22(26)29-15(2)21(25)23-12-16-9-17(13-23)11-18(10-16)14-23/h1,4-7,15-18,24H,8-14H2,2H3