[2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-2-oxidanylidene-ethyl] 3-oxidanyladamantane-1-carboxylate

Systemtic Name: [2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-2-oxidanylidene-ethyl] 3-oxidanyladamantane-1-carboxylate Openeye Name: [2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-2-oxo-ethyl] 3-hydroxyadamantane-1-carboxylate CAS Name: 3-hydroxy-1-adamantanecarboxylic acid [2-[4-(4-chlorophenyl)sulfonyl-1-piperazinyl]-2-oxoethyl] ester IUPAC Name: [2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl] 3-hydroxyadamantane-1-carboxylate Traditional Name: 3-hydroxyadamantane-1-carboxylic acid [2-[4-(4-chlorophenyl)sulfonylpiperazino]-2-keto-ethyl] ester Formula: C23H29ClN2O6S MolecularWeight: 497.00416

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H29ClN2O6S/c24-18-1-3-19(4-2-18)33(30,31)26-7-5-25(6-8-26)20(27)14-32-21(28)22-10-16-9-17(11-22)13-23(29,12-16)15-22/h1-4,16-17,29H,5-15H2