[2-oxidanylidene-2-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-yl]ethyl] pentanoate

Systemtic Name: [2-oxidanylidene-2-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-yl]ethyl] pentanoate Openeye Name: [2-oxo-2-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-yl]ethyl] pentanoate CAS Name: pentanoic acid [2-oxo-2-[4-(2,3,5,6-tetramethylphenyl)sulfonyl-1-piperazinyl]ethyl] ester IUPAC Name: [2-oxo-2-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-yl]ethyl] pentanoate Traditional Name: valeric acid [2-keto-2-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazino]ethyl] ester Formula: C21H32N2O5S MolecularWeight: 424.55418

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)OCC(=O)N1CCN(CC1)S(=O)(=O)C2=C(C(=CC(=C2C)C)C)C

Isomeric SMILES

CCCCC(=O)OCC(=O)N1CCN(CC1)S(=O)(=O)C2=C(C(=CC(=C2C)C)C)C

InChI

InChI=1S/C21H32N2O5S/c1-6-7-8-20(25)28-14-19(24)22-9-11-23(12-10-22)29(26,27)21-17(4)15(2)13-16(3)18(21)5/h13H,6-12,14H2,1-5H3