ethanedioic acid; 1-(4-fluorophenyl)sulfonyl-4-(naphthalen-1-ylmethyl)piperazine

Systemtic Name: ethanedioic acid; 1-(4-fluorophenyl)sulfonyl-4-(naphthalen-1-ylmethyl)piperazine Openeye Name: 1-(4-fluorophenyl)sulfonyl-4-(1-naphthylmethyl)piperazine; oxalic acid CAS Name: 1-(4-fluorophenyl)sulfonyl-4-(1-naphthalenylmethyl)piperazine; oxalic acid IUPAC Name: 1-(4-fluorophenyl)sulfonyl-4-(naphthalen-1-ylmethyl)piperazine; oxalic acid Traditional Name: 1-(4-fluorophenyl)sulfonyl-4-(1-naphthylmethyl)piperazine; oxalic acid Formula: C23H23FN2O6S MolecularWeight: 474.501923

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=CC3=CC=CC=C32)S(=O)(=O)C4=CC=C(C=C4)F.C(=O)(C(=O)O)O

Isomeric SMILES

C1CN(CCN1CC2=CC=CC3=CC=CC=C32)S(=O)(=O)C4=CC=C(C=C4)F.C(=O)(C(=O)O)O

InChI

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