[2-oxidanylidene-2-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]ethyl] 3,3-dimethylbutanoate

Systemtic Name: [2-oxidanylidene-2-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]ethyl] 3,3-dimethylbutanoate Openeye Name: [2-oxo-2-[4-[(E)-styryl]sulfonylpiperazin-1-yl]ethyl] 3,3-dimethylbutanoate CAS Name: 3,3-dimethylbutanoic acid [2-oxo-2-[4-[(E)-2-phenylethenyl]sulfonyl-1-piperazinyl]ethyl] ester IUPAC Name: [2-oxo-2-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]ethyl] 3,3-dimethylbutanoate Traditional Name: 3,3-dimethylbutyric acid [2-keto-2-[4-[(E)-styryl]sulfonylpiperazino]ethyl] ester Formula: C20H28N2O5S MolecularWeight: 408.51172

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CC(=O)OCC(=O)N1CCN(CC1)S(=O)(=O)C=CC2=CC=CC=C2

Isomeric SMILES

CC(C)(C)CC(=O)OCC(=O)N1CCN(CC1)S(=O)(=O)/C=C/C2=CC=CC=C2

InChI

InChI=1S/C20H28N2O5S/c1-20(2,3)15-19(24)27-16-18(23)21-10-12-22(13-11-21)28(25,26)14-9-17-7-5-4-6-8-17/h4-9,14H,10-13,15-16H2,1-3H3/b14-9+