[(2R)-1-(1-adamantyl)-1-oxidanylidene-propan-2-yl] 4-(furan-2-ylmethylsulfamoyl)benzoate

Systemtic Name: [(2R)-1-(1-adamantyl)-1-oxidanylidene-propan-2-yl] 4-(furan-2-ylmethylsulfamoyl)benzoate Openeye Name: [(1R)-2-(1-adamantyl)-1-methyl-2-oxo-ethyl] 4-(2-furylmethylsulfamoyl)benzoate CAS Name: 4-(2-furanylmethylsulfamoyl)benzoic acid [(2R)-1-(1-adamantyl)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(1-adamantyl)-1-oxopropan-2-yl] 4-(furan-2-ylmethylsulfamoyl)benzoate Traditional Name: 4-(2-furfurylsulfamoyl)benzoic acid [(1R)-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=C(C=C4)S(=O)(=O)NCC5=CC=CO5

Isomeric SMILES

C[C@H](C(=O)C12CC3CC(C1)CC(C3)C2)OC(=O)C4=CC=C(C=C4)S(=O)(=O)NCC5=CC=CO5

InChI

InChI=1S/C25H29NO6S/c1-16(23(27)25-12-17-9-18(13-25)11-19(10-17)14-25)32-24(28)20-4-6-22(7-5-20)33(29,30)26-15-21-3-2-8-31-21/h2-8,16-19,26H,9-15H2,1H3/t16-,17?,18?,19?,25?/m1/s1