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

Systemtic Name: (Z)-but-2-enedioic acid; 1-(4-methylsulfonylphenyl)-2-(4-phenylpiperazin-1-yl)ethanol Openeye Name: maleic acid; 1-(4-methylsulfonylphenyl)-2-(4-phenylpiperazin-1-yl)ethanol CAS Name: (Z)-2-butenedioic acid; 1-(4-methylsulfonylphenyl)-2-(4-phenyl-1-piperazinyl)ethanol IUPAC Name: (Z)-but-2-enedioic acid; 1-(4-methylsulfonylphenyl)-2-(4-phenylpiperazin-1-yl)ethanol Traditional Name: maleic acid; 1-(4-mesylphenyl)-2-(4-phenylpiperazino)ethanol Formula: C23H28N2O7S MolecularWeight: 476.54262

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H24N2O3S.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/h2-10,19,22H,11-15H2,1H3;1-2H,(H,5,6)(H,7,8)/b;2-1-