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

Systemtic Name: 1-[[5-(4-methylphenyl)-1-benzofuran-2-yl]methyl]-4-[(2-methylsulfonylphenyl)methyl]piperazine Openeye Name: 1-[(2-methylsulfonylphenyl)methyl]-4-[[5-(p-tolyl)benzofuran-2-yl]methyl]piperazine CAS Name: 1-[[5-(4-methylphenyl)-2-benzofuranyl]methyl]-4-[(2-methylsulfonylphenyl)methyl]piperazine IUPAC Name: 1-[[5-(4-methylphenyl)-1-benzofuran-2-yl]methyl]-4-[(2-methylsulfonylphenyl)methyl]piperazine Traditional Name: 1-(2-mesylbenzyl)-4-[[5-(p-tolyl)benzofuran-2-yl]methyl]piperazine Formula: C28H30N2O3S MolecularWeight: 474.6144

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=CC3=C(C=C2)OC(=C3)CN4CCN(CC4)CC5=CC=CC=C5S(=O)(=O)C

Isomeric SMILES

CC1=CC=C(C=C1)C2=CC3=C(C=C2)OC(=C3)CN4CCN(CC4)CC5=CC=CC=C5S(=O)(=O)C

InChI

InChI=1S/C28H30N2O3S/c1-21-7-9-22(10-8-21)23-11-12-27-25(17-23)18-26(33-27)20-30-15-13-29(14-16-30)19-24-5-3-4-6-28(24)34(2,31)32/h3-12,17-18H,13-16,19-20H2,1-2H3