1-(2,5-dimethylthiophen-3-yl)-4-[4-(4-methylpiperazin-1-yl)sulfonylpiperazin-1-yl]butane-1,4-dione

Systemtic Name: 1-(2,5-dimethylthiophen-3-yl)-4-[4-(4-methylpiperazin-1-yl)sulfonylpiperazin-1-yl]butane-1,4-dione Openeye Name: 1-(2,5-dimethyl-3-thienyl)-4-[4-(4-methylpiperazin-1-yl)sulfonylpiperazin-1-yl]butane-1,4-dione CAS Name: 1-(2,5-dimethyl-3-thiophenyl)-4-[4-[(4-methyl-1-piperazinyl)sulfonyl]-1-piperazinyl]butane-1,4-dione IUPAC Name: 1-(2,5-dimethylthiophen-3-yl)-4-[4-(4-methylpiperazin-1-yl)sulfonylpiperazin-1-yl]butane-1,4-dione Traditional Name: 1-(2,5-dimethyl-3-thienyl)-4-[4-(4-methylpiperazino)sulfonylpiperazino]butane-1,4-dione Formula: C19H30N4O4S2 MolecularWeight: 442.5959

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(S1)C)C(=O)CCC(=O)N2CCN(CC2)S(=O)(=O)N3CCN(CC3)C

Isomeric SMILES

CC1=CC(=C(S1)C)C(=O)CCC(=O)N2CCN(CC2)S(=O)(=O)N3CCN(CC3)C

InChI

InChI=1S/C19H30N4O4S2/c1-15-14-17(16(2)28-15)18(24)4-5-19(25)21-8-12-23(13-9-21)29(26,27)22-10-6-20(3)7-11-22/h14H,4-13H2,1-3H3