[2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-2-oxidanylidene-ethyl] adamantane-1-carboxylate

Systemtic Name: [2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-2-oxidanylidene-ethyl] adamantane-1-carboxylate Openeye Name: [2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-2-oxo-ethyl] adamantane-1-carboxylate CAS Name: 1-adamantanecarboxylic acid [2-[4-(4-chlorophenyl)sulfonyl-1-piperazinyl]-2-oxoethyl] ester IUPAC Name: [2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl] adamantane-1-carboxylate Traditional Name: adamantane-1-carboxylic acid [2-[4-(4-chlorophenyl)sulfonylpiperazino]-2-keto-ethyl] ester Formula: C23H29ClN2O5S MolecularWeight: 481.00476

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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