ethanedioic acid; 1-(4-fluorophenyl)sulfonyl-4-[(2-methoxyphenyl)methyl]piperazine

Systemtic Name: ethanedioic acid; 1-(4-fluorophenyl)sulfonyl-4-[(2-methoxyphenyl)methyl]piperazine Openeye Name: 1-(4-fluorophenyl)sulfonyl-4-[(2-methoxyphenyl)methyl]piperazine; oxalic acid CAS Name: 1-(4-fluorophenyl)sulfonyl-4-[(2-methoxyphenyl)methyl]piperazine; oxalic acid IUPAC Name: 1-(4-fluorophenyl)sulfonyl-4-[(2-methoxyphenyl)methyl]piperazine; oxalic acid Traditional Name: 1-(4-fluorophenyl)sulfonyl-4-o-anisyl-piperazine; oxalic acid Formula: C20H23FN2O7S MolecularWeight: 454.469223

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1CN2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)F.C(=O)(C(=O)O)O

Isomeric SMILES

COC1=CC=CC=C1CN2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)F.C(=O)(C(=O)O)O

InChI

InChI=1S/C18H21FN2O3S.C2H2O4/c1-24-18-5-3-2-4-15(18)14-20-10-12-21(13-11-20)25(22,23)17-8-6-16(19)7-9-17;3-1(4)2(5)6/h2-9H,10-14H2,1H3;(H,3,4)(H,5,6)