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

Systemtic Name: (Z)-but-2-enedioic acid; 1-(4-methylsulfonylphenyl)-2-(4-phenylpiperazin-1-yl)ethanone Openeye Name: maleic acid; 1-(4-methylsulfonylphenyl)-2-(4-phenylpiperazin-1-yl)ethanone CAS Name: (Z)-2-butenedioic acid; 1-(4-methylsulfonylphenyl)-2-(4-phenyl-1-piperazinyl)ethanone IUPAC Name: (Z)-but-2-enedioic acid; 1-(4-methylsulfonylphenyl)-2-(4-phenylpiperazin-1-yl)ethanone Traditional Name: maleic acid; 1-(4-mesylphenyl)-2-(4-phenylpiperazino)ethanone Formula: C23H26N2O7S MolecularWeight: 474.52674

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=C(C=C1)C(=O)CN2CCN(CC2)C3=CC=CC=C3.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)C(=O)CN2CCN(CC2)C3=CC=CC=C3.C(=C\C(=O)O)\C(=O)O

InChI

InChI=1S/C19H22N2O3S.C4H4O4/c1-25(23,24)18-9-7-16(8-10-18)19(22)15-20-11-13-21(14-12-20)17-5-3-2-4-6-17;5-3(6)1-2-4(7)8/h2-10H,11-15H2,1H3;1-2H,(H,5,6)(H,7,8)/b;2-1-