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

Systemtic Name: 1-[(3-chlorophenyl)methyl]-4-(4-fluorophenyl)sulfonyl-piperazine; ethanedioic acid Openeye Name: 1-[(3-chlorophenyl)methyl]-4-(4-fluorophenyl)sulfonyl-piperazine; oxalic acid CAS Name: 1-[(3-chlorophenyl)methyl]-4-(4-fluorophenyl)sulfonylpiperazine; oxalic acid IUPAC Name: 1-[(3-chlorophenyl)methyl]-4-(4-fluorophenyl)sulfonylpiperazine; oxalic acid Traditional Name: 1-(3-chlorobenzyl)-4-(4-fluorophenyl)sulfonyl-piperazine; oxalic acid Formula: C19H20ClFN2O6S MolecularWeight: 458.888303

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H18ClFN2O2S.C2H2O4/c18-15-3-1-2-14(12-15)13-20-8-10-21(11-9-20)24(22,23)17-6-4-16(19)5-7-17;3-1(4)2(5)6/h1-7,12H,8-11,13H2;(H,3,4)(H,5,6)