ethanedioic acid; 1-[4-[2-oxidanyl-3-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]propoxy]phenyl]ethanone

Systemtic Name: ethanedioic acid; 1-[4-[2-oxidanyl-3-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]propoxy]phenyl]ethanone Openeye Name: 1-[4-[2-hydroxy-3-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]propoxy]phenyl]ethanone; oxalic acid CAS Name: 1-[4-[2-hydroxy-3-[4-(2,4,6-trimethylphenyl)sulfonyl-1-piperazinyl]propoxy]phenyl]ethanone; oxalic acid IUPAC Name: 1-[4-[2-hydroxy-3-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]propoxy]phenyl]ethanone; oxalic acid Traditional Name: 1-[4-[2-hydroxy-3-(4-mesitylsulfonylpiperazino)propoxy]phenyl]ethanone; oxalic acid Formula: C26H34N2O9S MolecularWeight: 550.62116

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)S(=O)(=O)N2CCN(CC2)CC(COC3=CC=C(C=C3)C(=O)C)O)C.C(=O)(C(=O)O)O

Isomeric SMILES

CC1=CC(=C(C(=C1)C)S(=O)(=O)N2CCN(CC2)CC(COC3=CC=C(C=C3)C(=O)C)O)C.C(=O)(C(=O)O)O

InChI

InChI=1S/C24H32N2O5S.C2H2O4/c1-17-13-18(2)24(19(3)14-17)32(29,30)26-11-9-25(10-12-26)15-22(28)16-31-23-7-5-21(6-8-23)20(4)27;3-1(4)2(5)6/h5-8,13-14,22,28H,9-12,15-16H2,1-4H3;(H,3,4)(H,5,6)