ethanedioic acid; 1-(4-fluorophenyl)sulfonyl-4-[(3-phenoxyphenyl)methyl]piperazine

Systemtic Name: ethanedioic acid; 1-(4-fluorophenyl)sulfonyl-4-[(3-phenoxyphenyl)methyl]piperazine Openeye Name: 1-(4-fluorophenyl)sulfonyl-4-[(3-phenoxyphenyl)methyl]piperazine; oxalic acid CAS Name: 1-(4-fluorophenyl)sulfonyl-4-[(3-phenoxyphenyl)methyl]piperazine; oxalic acid IUPAC Name: 1-(4-fluorophenyl)sulfonyl-4-[(3-phenoxyphenyl)methyl]piperazine; oxalic acid Traditional Name: 1-(4-fluorophenyl)sulfonyl-4-(3-phenoxybenzyl)piperazine; oxalic acid Formula: C25H25FN2O7S MolecularWeight: 516.538603

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC(=CC=C2)OC3=CC=CC=C3)S(=O)(=O)C4=CC=C(C=C4)F.C(=O)(C(=O)O)O

Isomeric SMILES

C1CN(CCN1CC2=CC(=CC=C2)OC3=CC=CC=C3)S(=O)(=O)C4=CC=C(C=C4)F.C(=O)(C(=O)O)O

InChI

InChI=1S/C23H23FN2O3S.C2H2O4/c24-20-9-11-23(12-10-20)30(27,28)26-15-13-25(14-16-26)18-19-5-4-8-22(17-19)29-21-6-2-1-3-7-21;3-1(4)2(5)6/h1-12,17H,13-16,18H2;(H,3,4)(H,5,6)