1-[4-(5-chloranylthiophen-2-yl)sulfonylpiperazin-1-yl]-4-(3,4-dimethoxyphenyl)butane-1,4-dione

Systemtic Name: 1-[4-(5-chloranylthiophen-2-yl)sulfonylpiperazin-1-yl]-4-(3,4-dimethoxyphenyl)butane-1,4-dione Openeye Name: 1-[4-[(5-chloro-2-thienyl)sulfonyl]piperazin-1-yl]-4-(3,4-dimethoxyphenyl)butane-1,4-dione CAS Name: 1-[4-[(5-chloro-2-thiophenyl)sulfonyl]-1-piperazinyl]-4-(3,4-dimethoxyphenyl)butane-1,4-dione IUPAC Name: 1-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]-4-(3,4-dimethoxyphenyl)butane-1,4-dione Traditional Name: 1-[4-[(5-chloro-2-thienyl)sulfonyl]piperazino]-4-(3,4-dimethoxyphenyl)butane-1,4-dione Formula: C20H23ClN2O6S2 MolecularWeight: 486.98942

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)CCC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=C(S3)Cl)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)CCC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=C(S3)Cl)OC

InChI

InChI=1S/C20H23ClN2O6S2/c1-28-16-5-3-14(13-17(16)29-2)15(24)4-7-19(25)22-9-11-23(12-10-22)31(26,27)20-8-6-18(21)30-20/h3,5-6,8,13H,4,7,9-12H2,1-2H3