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

Systemtic Name: 1-(4-bromophenyl)-4-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]butane-1,4-dione Openeye Name: 1-(4-bromophenyl)-4-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]butane-1,4-dione CAS Name: 1-(4-bromophenyl)-4-[4-(2,4-dimethylphenyl)sulfonyl-1-piperazinyl]butane-1,4-dione IUPAC Name: 1-(4-bromophenyl)-4-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]butane-1,4-dione Traditional Name: 1-(4-bromophenyl)-4-[4-(2,4-dimethylphenyl)sulfonylpiperazino]butane-1,4-dione Formula: C22H25BrN2O4S MolecularWeight: 493.4139

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H25BrN2O4S/c1-16-3-9-21(17(2)15-16)30(28,29)25-13-11-24(12-14-25)22(27)10-8-20(26)18-4-6-19(23)7-5-18/h3-7,9,15H,8,10-14H2,1-2H3