[2-(1-adamantylamino)-2-oxidanylidene-ethyl] 3-(phenylsulfonylamino)benzoate

Systemtic Name: [2-(1-adamantylamino)-2-oxidanylidene-ethyl] 3-(phenylsulfonylamino)benzoate Openeye Name: [2-(1-adamantylamino)-2-oxo-ethyl] 3-(benzenesulfonamido)benzoate CAS Name: 3-(benzenesulfonamido)benzoic acid [2-(1-adamantylamino)-2-oxoethyl] ester IUPAC Name: [2-(1-adamantylamino)-2-oxoethyl] 3-(benzenesulfonamido)benzoate Traditional Name: 3-(benzenesulfonamido)benzoic acid [2-(1-adamantylamino)-2-keto-ethyl] ester Formula: C25H28N2O5S MolecularWeight: 468.56522

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)NC(=O)COC(=O)C4=CC(=CC=C4)NS(=O)(=O)C5=CC=CC=C5

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)NC(=O)COC(=O)C4=CC(=CC=C4)NS(=O)(=O)C5=CC=CC=C5

InChI

InChI=1S/C25H28N2O5S/c28-23(26-25-13-17-9-18(14-25)11-19(10-17)15-25)16-32-24(29)20-5-4-6-21(12-20)27-33(30,31)22-7-2-1-3-8-22/h1-8,12,17-19,27H,9-11,13-16H2,(H,26,28)