1-[[5-(2-methoxyphenyl)-1-benzofuran-2-yl]methyl]-4-[(2-methylsulfonylphenyl)methyl]piperazine

Systemtic Name: 1-[[5-(2-methoxyphenyl)-1-benzofuran-2-yl]methyl]-4-[(2-methylsulfonylphenyl)methyl]piperazine Openeye Name: 1-[[5-(2-methoxyphenyl)benzofuran-2-yl]methyl]-4-[(2-methylsulfonylphenyl)methyl]piperazine CAS Name: 1-[[5-(2-methoxyphenyl)-2-benzofuranyl]methyl]-4-[(2-methylsulfonylphenyl)methyl]piperazine IUPAC Name: 1-[[5-(2-methoxyphenyl)-1-benzofuran-2-yl]methyl]-4-[(2-methylsulfonylphenyl)methyl]piperazine Traditional Name: 1-(2-mesylbenzyl)-4-[[5-(2-methoxyphenyl)benzofuran-2-yl]methyl]piperazine Formula: C28H30N2O4S MolecularWeight: 490.6138

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C2=CC3=C(C=C2)OC(=C3)CN4CCN(CC4)CC5=CC=CC=C5S(=O)(=O)C

Isomeric SMILES

COC1=CC=CC=C1C2=CC3=C(C=C2)OC(=C3)CN4CCN(CC4)CC5=CC=CC=C5S(=O)(=O)C

InChI

InChI=1S/C28H30N2O4S/c1-33-27-9-5-4-8-25(27)21-11-12-26-23(17-21)18-24(34-26)20-30-15-13-29(14-16-30)19-22-7-3-6-10-28(22)35(2,31)32/h3-12,17-18H,13-16,19-20H2,1-2H3