[2-oxidanylidene-2-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]ethyl] cyclopentanecarboxylate

Systemtic Name: [2-oxidanylidene-2-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]ethyl] cyclopentanecarboxylate Openeye Name: [2-oxo-2-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]ethyl] cyclopentanecarboxylate CAS Name: cyclopentanecarboxylic acid [2-oxo-2-[4-(2,4,6-trimethylphenyl)sulfonyl-1-piperazinyl]ethyl] ester IUPAC Name: [2-oxo-2-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]ethyl] cyclopentanecarboxylate Traditional Name: cyclopentanecarboxylic acid [2-keto-2-(4-mesitylsulfonylpiperazino)ethyl] ester Formula: C21H30N2O5S MolecularWeight: 422.5383

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)S(=O)(=O)N2CCN(CC2)C(=O)COC(=O)C3CCCC3)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)S(=O)(=O)N2CCN(CC2)C(=O)COC(=O)C3CCCC3)C

InChI

InChI=1S/C21H30N2O5S/c1-15-12-16(2)20(17(3)13-15)29(26,27)23-10-8-22(9-11-23)19(24)14-28-21(25)18-6-4-5-7-18/h12-13,18H,4-11,14H2,1-3H3