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

Systemtic Name: [2-oxidanylidene-2-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]ethyl] 4-methylpentanoate Openeye Name: [2-oxo-2-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]ethyl] 4-methylpentanoate CAS Name: 4-methylpentanoic 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] 4-methylpentanoate Traditional Name: 4-methylvaleric acid [2-keto-2-(4-mesitylsulfonylpiperazino)ethyl] ester Formula: C21H32N2O5S MolecularWeight: 424.55418

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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)CCC(C)C)C

Isomeric SMILES

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

InChI

InChI=1S/C21H32N2O5S/c1-15(2)6-7-20(25)28-14-19(24)22-8-10-23(11-9-22)29(26,27)21-17(4)12-16(3)13-18(21)5/h12-13,15H,6-11,14H2,1-5H3