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

Systemtic Name: 1-(4-chlorophenyl)-4-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]butane-1,4-dione Openeye Name: 1-(4-chlorophenyl)-4-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]butane-1,4-dione CAS Name: 1-(4-chlorophenyl)-4-[4-(2,5-dimethylphenyl)sulfonyl-1-piperazinyl]butane-1,4-dione IUPAC Name: 1-(4-chlorophenyl)-4-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]butane-1,4-dione Traditional Name: 1-(4-chlorophenyl)-4-[4-(2,5-dimethylphenyl)sulfonylpiperazino]butane-1,4-dione Formula: C22H25ClN2O4S MolecularWeight: 448.9629

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H25ClN2O4S/c1-16-3-4-17(2)21(15-16)30(28,29)25-13-11-24(12-14-25)22(27)10-9-20(26)18-5-7-19(23)8-6-18/h3-8,15H,9-14H2,1-2H3