[2-[1-(1-adamantyl)ethylamino]-2-oxidanylidene-ethyl] 4-methylsulfonylbenzoate

Systemtic Name: [2-[1-(1-adamantyl)ethylamino]-2-oxidanylidene-ethyl] 4-methylsulfonylbenzoate Openeye Name: [2-[1-(1-adamantyl)ethylamino]-2-oxo-ethyl] 4-methylsulfonylbenzoate CAS Name: 4-methylsulfonylbenzoic acid [2-[1-(1-adamantyl)ethylamino]-2-oxoethyl] ester IUPAC Name: [2-[1-(1-adamantyl)ethylamino]-2-oxoethyl] 4-methylsulfonylbenzoate Traditional Name: 4-mesylbenzoic acid [2-[1-(1-adamantyl)ethylamino]-2-keto-ethyl] ester Formula: C22H29NO5S MolecularWeight: 419.53436

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C12CC3CC(C1)CC(C3)C2)NC(=O)COC(=O)C4=CC=C(C=C4)S(=O)(=O)C

Isomeric SMILES

CC(C12CC3CC(C1)CC(C3)C2)NC(=O)COC(=O)C4=CC=C(C=C4)S(=O)(=O)C

InChI

InChI=1S/C22H29NO5S/c1-14(22-10-15-7-16(11-22)9-17(8-15)12-22)23-20(24)13-28-21(25)18-3-5-19(6-4-18)29(2,26)27/h3-6,14-17H,7-13H2,1-2H3,(H,23,24)