1-(4-ethoxyphenyl)-4-[4-(4-methylpiperazin-1-yl)sulfonylpiperazin-1-yl]butane-1,4-dione

Systemtic Name: 1-(4-ethoxyphenyl)-4-[4-(4-methylpiperazin-1-yl)sulfonylpiperazin-1-yl]butane-1,4-dione Openeye Name: 1-(4-ethoxyphenyl)-4-[4-(4-methylpiperazin-1-yl)sulfonylpiperazin-1-yl]butane-1,4-dione CAS Name: 1-(4-ethoxyphenyl)-4-[4-[(4-methyl-1-piperazinyl)sulfonyl]-1-piperazinyl]butane-1,4-dione IUPAC Name: 1-(4-ethoxyphenyl)-4-[4-(4-methylpiperazin-1-yl)sulfonylpiperazin-1-yl]butane-1,4-dione Traditional Name: 1-[4-(4-methylpiperazino)sulfonylpiperazino]-4-p-phenetyl-butane-1,4-dione Formula: C21H32N4O5S MolecularWeight: 452.56758

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C(=O)CCC(=O)N2CCN(CC2)S(=O)(=O)N3CCN(CC3)C

Isomeric SMILES

CCOC1=CC=C(C=C1)C(=O)CCC(=O)N2CCN(CC2)S(=O)(=O)N3CCN(CC3)C

InChI

InChI=1S/C21H32N4O5S/c1-3-30-19-6-4-18(5-7-19)20(26)8-9-21(27)23-12-16-25(17-13-23)31(28,29)24-14-10-22(2)11-15-24/h4-7H,3,8-17H2,1-2H3