ethanedioic acid; 1-[(2-fluorophenyl)methyl]-4-naphthalen-2-ylsulfonyl-piperazine

Systemtic Name: ethanedioic acid; 1-[(2-fluorophenyl)methyl]-4-naphthalen-2-ylsulfonyl-piperazine Openeye Name: 1-[(2-fluorophenyl)methyl]-4-(2-naphthylsulfonyl)piperazine; oxalic acid CAS Name: 1-[(2-fluorophenyl)methyl]-4-(2-naphthalenylsulfonyl)piperazine; oxalic acid IUPAC Name: 1-[(2-fluorophenyl)methyl]-4-naphthalen-2-ylsulfonylpiperazine; oxalic acid Traditional Name: 1-(2-fluorobenzyl)-4-(2-naphthylsulfonyl)piperazine; oxalic acid Formula: C23H23FN2O6S MolecularWeight: 474.501923

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=CC=C2F)S(=O)(=O)C3=CC4=CC=CC=C4C=C3.C(=O)(C(=O)O)O

Isomeric SMILES

C1CN(CCN1CC2=CC=CC=C2F)S(=O)(=O)C3=CC4=CC=CC=C4C=C3.C(=O)(C(=O)O)O

InChI

InChI=1S/C21H21FN2O2S.C2H2O4/c22-21-8-4-3-7-19(21)16-23-11-13-24(14-12-23)27(25,26)20-10-9-17-5-1-2-6-18(17)15-20;3-1(4)2(5)6/h1-10,15H,11-14,16H2;(H,3,4)(H,5,6)