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

Systemtic Name: 1-(2,5-dimethylphenyl)-4-[4-(4-methylpiperazin-1-yl)sulfonylpiperazin-1-yl]butane-1,4-dione Openeye Name: 1-(2,5-dimethylphenyl)-4-[4-(4-methylpiperazin-1-yl)sulfonylpiperazin-1-yl]butane-1,4-dione CAS Name: 1-(2,5-dimethylphenyl)-4-[4-[(4-methyl-1-piperazinyl)sulfonyl]-1-piperazinyl]butane-1,4-dione IUPAC Name: 1-(2,5-dimethylphenyl)-4-[4-(4-methylpiperazin-1-yl)sulfonylpiperazin-1-yl]butane-1,4-dione Traditional Name: 1-(2,5-dimethylphenyl)-4-[4-(4-methylpiperazino)sulfonylpiperazino]butane-1,4-dione Formula: C21H32N4O4S MolecularWeight: 436.56818

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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)N3CCN(CC3)C

Isomeric SMILES

CC1=CC(=C(C=C1)C)C(=O)CCC(=O)N2CCN(CC2)S(=O)(=O)N3CCN(CC3)C

InChI

InChI=1S/C21H32N4O4S/c1-17-4-5-18(2)19(16-17)20(26)6-7-21(27)23-10-14-25(15-11-23)30(28,29)24-12-8-22(3)9-13-24/h4-5,16H,6-15H2,1-3H3