1-[2,4-bis(methylsulfonyl)phenyl]-4-[(3-fluoranyl-4-methoxy-phenyl)methyl]piperazine

Systemtic Name: 1-[2,4-bis(methylsulfonyl)phenyl]-4-[(3-fluoranyl-4-methoxy-phenyl)methyl]piperazine Openeye Name: 1-[2,4-bis(methylsulfonyl)phenyl]-4-[(3-fluoro-4-methoxy-phenyl)methyl]piperazine CAS Name: 1-[2,4-bis(methylsulfonyl)phenyl]-4-[(3-fluoro-4-methoxyphenyl)methyl]piperazine IUPAC Name: 1-[2,4-bis(methylsulfonyl)phenyl]-4-[(3-fluoro-4-methoxyphenyl)methyl]piperazine Traditional Name: 1-(2,4-dimesylphenyl)-4-(3-fluoro-4-methoxy-benzyl)piperazine Formula: C20H25FN2O5S2 MolecularWeight: 456.551303

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CN2CCN(CC2)C3=C(C=C(C=C3)S(=O)(=O)C)S(=O)(=O)C)F

Isomeric SMILES

COC1=C(C=C(C=C1)CN2CCN(CC2)C3=C(C=C(C=C3)S(=O)(=O)C)S(=O)(=O)C)F

InChI

InChI=1S/C20H25FN2O5S2/c1-28-19-7-4-15(12-17(19)21)14-22-8-10-23(11-9-22)18-6-5-16(29(2,24)25)13-20(18)30(3,26)27/h4-7,12-13H,8-11,14H2,1-3H3