1-[4-(5-bromanylthiophen-2-yl)sulfonylpiperazin-1-yl]-4-(2,5-dimethylphenyl)butane-1,4-dione

Systemtic Name: 1-[4-(5-bromanylthiophen-2-yl)sulfonylpiperazin-1-yl]-4-(2,5-dimethylphenyl)butane-1,4-dione Openeye Name: 1-[4-[(5-bromo-2-thienyl)sulfonyl]piperazin-1-yl]-4-(2,5-dimethylphenyl)butane-1,4-dione CAS Name: 1-[4-[(5-bromo-2-thiophenyl)sulfonyl]-1-piperazinyl]-4-(2,5-dimethylphenyl)butane-1,4-dione IUPAC Name: 1-[4-(5-bromothiophen-2-yl)sulfonylpiperazin-1-yl]-4-(2,5-dimethylphenyl)butane-1,4-dione Traditional Name: 1-[4-[(5-bromo-2-thienyl)sulfonyl]piperazino]-4-(2,5-dimethylphenyl)butane-1,4-dione Formula: C20H23BrN2O4S2 MolecularWeight: 499.44162

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)C(=O)CCC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=C(S3)Br

Isomeric SMILES

CC1=CC(=C(C=C1)C)C(=O)CCC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=C(S3)Br

InChI

InChI=1S/C20H23BrN2O4S2/c1-14-3-4-15(2)16(13-14)17(24)5-7-19(25)22-9-11-23(12-10-22)29(26,27)20-8-6-18(21)28-20/h3-4,6,8,13H,5,7,9-12H2,1-2H3