(Z)-but-2-enedioic acid; 2-(4-methylpiperazin-1-yl)-1-(4-methylsulfonylphenyl)ethanone

Systemtic Name: (Z)-but-2-enedioic acid; 2-(4-methylpiperazin-1-yl)-1-(4-methylsulfonylphenyl)ethanone Openeye Name: maleic acid; 2-(4-methylpiperazin-1-yl)-1-(4-methylsulfonylphenyl)ethanone CAS Name: (Z)-2-butenedioic acid; 2-(4-methyl-1-piperazinyl)-1-(4-methylsulfonylphenyl)ethanone IUPAC Name: (Z)-but-2-enedioic acid; 2-(4-methylpiperazin-1-yl)-1-(4-methylsulfonylphenyl)ethanone Traditional Name: maleic acid; 1-(4-mesylphenyl)-2-(4-methylpiperazino)ethanone Formula: C22H28N2O11S MolecularWeight: 528.52952

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)CC(=O)C2=CC=C(C=C2)S(=O)(=O)C.C(=CC(=O)O)C(=O)O.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CN1CCN(CC1)CC(=O)C2=CC=C(C=C2)S(=O)(=O)C.C(=C\C(=O)O)\C(=O)O.C(=C\C(=O)O)\C(=O)O

InChI

InChI=1S/C14H20N2O3S.2C4H4O4/c1-15-7-9-16(10-8-15)11-14(17)12-3-5-13(6-4-12)20(2,18)19;2*5-3(6)1-2-4(7)8/h3-6H,7-11H2,1-2H3;2*1-2H,(H,5,6)(H,7,8)/b;2*2-1-