[2-(4-methylsulfonylpiperazin-1-yl)-2-oxidanylidene-ethyl] 1-(3-chlorophenyl)cyclohexane-1-carboxylate

Systemtic Name: [2-(4-methylsulfonylpiperazin-1-yl)-2-oxidanylidene-ethyl] 1-(3-chlorophenyl)cyclohexane-1-carboxylate Openeye Name: [2-(4-methylsulfonylpiperazin-1-yl)-2-oxo-ethyl] 1-(3-chlorophenyl)cyclohexanecarboxylate CAS Name: 1-(3-chlorophenyl)-1-cyclohexanecarboxylic acid [2-(4-methylsulfonyl-1-piperazinyl)-2-oxoethyl] ester IUPAC Name: [2-(4-methylsulfonylpiperazin-1-yl)-2-oxoethyl] 1-(3-chlorophenyl)cyclohexane-1-carboxylate Traditional Name: 1-(3-chlorophenyl)cyclohexanecarboxylic acid [2-keto-2-(4-mesylpiperazino)ethyl] ester Formula: C20H27ClN2O5S MolecularWeight: 442.95678

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CCN(CC1)C(=O)COC(=O)C2(CCCCC2)C3=CC(=CC=C3)Cl

Isomeric SMILES

CS(=O)(=O)N1CCN(CC1)C(=O)COC(=O)C2(CCCCC2)C3=CC(=CC=C3)Cl

InChI

InChI=1S/C20H27ClN2O5S/c1-29(26,27)23-12-10-22(11-13-23)18(24)15-28-19(25)20(8-3-2-4-9-20)16-6-5-7-17(21)14-16/h5-7,14H,2-4,8-13,15H2,1H3