[2-oxidanylidene-2-[4-(phenylsulfonyl)piperazin-1-yl]ethyl] 3-chloranyladamantane-1-carboxylate

Systemtic Name: [2-oxidanylidene-2-[4-(phenylsulfonyl)piperazin-1-yl]ethyl] 3-chloranyladamantane-1-carboxylate Openeye Name: [2-[4-(benzenesulfonyl)piperazin-1-yl]-2-oxo-ethyl] 3-chloroadamantane-1-carboxylate CAS Name: 3-chloro-1-adamantanecarboxylic acid [2-[4-(benzenesulfonyl)-1-piperazinyl]-2-oxoethyl] ester IUPAC Name: [2-[4-(benzenesulfonyl)piperazin-1-yl]-2-oxoethyl] 3-chloroadamantane-1-carboxylate Traditional Name: 3-chloroadamantane-1-carboxylic acid [2-(4-besylpiperazino)-2-keto-ethyl] ester Formula: C23H29ClN2O5S MolecularWeight: 481.00476

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)COC(=O)C23CC4CC(C2)CC(C4)(C3)Cl)S(=O)(=O)C5=CC=CC=C5

Isomeric SMILES

C1CN(CCN1C(=O)COC(=O)C23CC4CC(C2)CC(C4)(C3)Cl)S(=O)(=O)C5=CC=CC=C5

InChI

InChI=1S/C23H29ClN2O5S/c24-23-13-17-10-18(14-23)12-22(11-17,16-23)21(28)31-15-20(27)25-6-8-26(9-7-25)32(29,30)19-4-2-1-3-5-19/h1-5,17-18H,6-16H2