ethanedioic acid; 1-(5-fluoranyl-2-methoxy-phenyl)-2-[4-(4-propylphenyl)sulfonylpiperazin-1-yl]ethanol

Systemtic Name: ethanedioic acid; 1-(5-fluoranyl-2-methoxy-phenyl)-2-[4-(4-propylphenyl)sulfonylpiperazin-1-yl]ethanol Openeye Name: 1-(5-fluoro-2-methoxy-phenyl)-2-[4-(4-propylphenyl)sulfonylpiperazin-1-yl]ethanol; oxalic acid CAS Name: 1-(5-fluoro-2-methoxyphenyl)-2-[4-(4-propylphenyl)sulfonyl-1-piperazinyl]ethanol; oxalic acid IUPAC Name: 1-(5-fluoro-2-methoxyphenyl)-2-[4-(4-propylphenyl)sulfonylpiperazin-1-yl]ethanol; oxalic acid Traditional Name: 1-(5-fluoro-2-methoxy-phenyl)-2-[4-(4-propylphenyl)sulfonylpiperazino]ethanol; oxalic acid Formula: C24H31FN2O8S MolecularWeight: 526.574943

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)CC(C3=C(C=CC(=C3)F)OC)O.C(=O)(C(=O)O)O

Isomeric SMILES

CCCC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)CC(C3=C(C=CC(=C3)F)OC)O.C(=O)(C(=O)O)O

InChI

InChI=1S/C22H29FN2O4S.C2H2O4/c1-3-4-17-5-8-19(9-6-17)30(27,28)25-13-11-24(12-14-25)16-21(26)20-15-18(23)7-10-22(20)29-2;3-1(4)2(5)6/h5-10,15,21,26H,3-4,11-14,16H2,1-2H3;(H,3,4)(H,5,6)