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

Systemtic Name: ethanedioic acid; 1-(4-fluorophenyl)sulfonyl-4-[(3-methylphenyl)methyl]piperazine Openeye Name: 1-(4-fluorophenyl)sulfonyl-4-(m-tolylmethyl)piperazine; oxalic acid CAS Name: 1-(4-fluorophenyl)sulfonyl-4-[(3-methylphenyl)methyl]piperazine; oxalic acid IUPAC Name: 1-(4-fluorophenyl)sulfonyl-4-[(3-methylphenyl)methyl]piperazine; oxalic acid Traditional Name: 1-(4-fluorophenyl)sulfonyl-4-(3-methylbenzyl)piperazine; oxalic acid Formula: C20H23FN2O6S MolecularWeight: 438.469823

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CN2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)F.C(=O)(C(=O)O)O

Isomeric SMILES

CC1=CC(=CC=C1)CN2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)F.C(=O)(C(=O)O)O

InChI

InChI=1S/C18H21FN2O2S.C2H2O4/c1-15-3-2-4-16(13-15)14-20-9-11-21(12-10-20)24(22,23)18-7-5-17(19)6-8-18;3-1(4)2(5)6/h2-8,13H,9-12,14H2,1H3;(H,3,4)(H,5,6)