[2-[4-(5-chloranylthiophen-2-yl)sulfonylpiperazin-1-yl]-2-oxidanylidene-ethyl] 3,3-dimethylbutanoate

Systemtic Name: [2-[4-(5-chloranylthiophen-2-yl)sulfonylpiperazin-1-yl]-2-oxidanylidene-ethyl] 3,3-dimethylbutanoate Openeye Name: [2-[4-[(5-chloro-2-thienyl)sulfonyl]piperazin-1-yl]-2-oxo-ethyl] 3,3-dimethylbutanoate CAS Name: 3,3-dimethylbutanoic acid [2-[4-[(5-chloro-2-thiophenyl)sulfonyl]-1-piperazinyl]-2-oxoethyl] ester IUPAC Name: [2-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]-2-oxoethyl] 3,3-dimethylbutanoate Traditional Name: 3,3-dimethylbutyric acid [2-[4-[(5-chloro-2-thienyl)sulfonyl]piperazino]-2-keto-ethyl] ester Formula: C16H23ClN2O5S2 MolecularWeight: 422.94722

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CC(=O)OCC(=O)N1CCN(CC1)S(=O)(=O)C2=CC=C(S2)Cl

Isomeric SMILES

CC(C)(C)CC(=O)OCC(=O)N1CCN(CC1)S(=O)(=O)C2=CC=C(S2)Cl

InChI

InChI=1S/C16H23ClN2O5S2/c1-16(2,3)10-14(21)24-11-13(20)18-6-8-19(9-7-18)26(22,23)15-5-4-12(17)25-15/h4-5H,6-11H2,1-3H3