[1-(1-adamantyl)-1-oxidanylidene-propan-2-yl] 3-(furan-2-ylmethylsulfamoyl)benzoate

Systemtic Name: [1-(1-adamantyl)-1-oxidanylidene-propan-2-yl] 3-(furan-2-ylmethylsulfamoyl)benzoate Openeye Name: [2-(1-adamantyl)-1-methyl-2-oxo-ethyl] 3-(2-furylmethylsulfamoyl)benzoate CAS Name: 3-(2-furanylmethylsulfamoyl)benzoic acid [1-(1-adamantyl)-1-oxopropan-2-yl] ester IUPAC Name: [1-(1-adamantyl)-1-oxopropan-2-yl] 3-(furan-2-ylmethylsulfamoyl)benzoate Traditional Name: 3-(2-furfurylsulfamoyl)benzoic acid [2-(1-adamantyl)-2-keto-1-methyl-ethyl] ester Formula: C25H29NO6S MolecularWeight: 471.56586

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C12CC3CC(C1)CC(C3)C2)OC(=O)C4=CC(=CC=C4)S(=O)(=O)NCC5=CC=CO5

Isomeric SMILES

CC(C(=O)C12CC3CC(C1)CC(C3)C2)OC(=O)C4=CC(=CC=C4)S(=O)(=O)NCC5=CC=CO5

InChI

InChI=1S/C25H29NO6S/c1-16(23(27)25-12-17-8-18(13-25)10-19(9-17)14-25)32-24(28)20-4-2-6-22(11-20)33(29,30)26-15-21-5-3-7-31-21/h2-7,11,16-19,26H,8-10,12-15H2,1H3