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

Systemtic Name: ethanedioic acid; 1-[(3-fluorophenyl)methyl]-4-(4-methoxyphenyl)sulfonyl-piperazine Openeye Name: 1-[(3-fluorophenyl)methyl]-4-(4-methoxyphenyl)sulfonyl-piperazine; oxalic acid CAS Name: 1-[(3-fluorophenyl)methyl]-4-(4-methoxyphenyl)sulfonylpiperazine; oxalic acid IUPAC Name: 1-[(3-fluorophenyl)methyl]-4-(4-methoxyphenyl)sulfonylpiperazine; oxalic acid Traditional Name: 1-(3-fluorobenzyl)-4-(4-methoxyphenyl)sulfonyl-piperazine; oxalic acid Formula: C20H23FN2O7S MolecularWeight: 454.469223

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)CC3=CC(=CC=C3)F.C(=O)(C(=O)O)O

Isomeric SMILES

COC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)CC3=CC(=CC=C3)F.C(=O)(C(=O)O)O

InChI

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