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

Systemtic Name: (Z)-but-2-enedioic acid; 2-(4-methylpiperazin-1-yl)-1-(4-piperidin-1-ylsulfonylphenyl)ethanone Openeye Name: maleic acid; 2-(4-methylpiperazin-1-yl)-1-[4-(1-piperidylsulfonyl)phenyl]ethanone CAS Name: (Z)-2-butenedioic acid; 2-(4-methyl-1-piperazinyl)-1-[4-(1-piperidinylsulfonyl)phenyl]ethanone IUPAC Name: (Z)-but-2-enedioic acid; 2-(4-methylpiperazin-1-yl)-1-(4-piperidin-1-ylsulfonylphenyl)ethanone Traditional Name: maleic acid; 2-(4-methylpiperazino)-1-(4-piperidinosulfonylphenyl)ethanone Formula: C26H35N3O11S MolecularWeight: 597.6346

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)CC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCCC3.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)N3CCCCC3.C(=C\C(=O)O)\C(=O)O.C(=C\C(=O)O)\C(=O)O

InChI

InChI=1S/C18H27N3O3S.2C4H4O4/c1-19-11-13-20(14-12-19)15-18(22)16-5-7-17(8-6-16)25(23,24)21-9-3-2-4-10-21;2*5-3(6)1-2-4(7)8/h5-8H,2-4,9-15H2,1H3;2*1-2H,(H,5,6)(H,7,8)/b;2*2-1-