1-[(2-methylsulfonylphenyl)methyl]-4-[(5-thiophen-3-yl-1-benzofuran-2-yl)methyl]piperazine

Systemtic Name: 1-[(2-methylsulfonylphenyl)methyl]-4-[(5-thiophen-3-yl-1-benzofuran-2-yl)methyl]piperazine Openeye Name: 1-[(2-methylsulfonylphenyl)methyl]-4-[[5-(3-thienyl)benzofuran-2-yl]methyl]piperazine CAS Name: 1-[(2-methylsulfonylphenyl)methyl]-4-[[5-(3-thiophenyl)-2-benzofuranyl]methyl]piperazine IUPAC Name: 1-[(2-methylsulfonylphenyl)methyl]-4-[(5-thiophen-3-yl-1-benzofuran-2-yl)methyl]piperazine Traditional Name: 1-(2-mesylbenzyl)-4-[[5-(3-thienyl)benzofuran-2-yl]methyl]piperazine Formula: C25H26N2O3S2 MolecularWeight: 466.61554

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=CC=C1CN2CCN(CC2)CC3=CC4=C(O3)C=CC(=C4)C5=CSC=C5

Isomeric SMILES

CS(=O)(=O)C1=CC=CC=C1CN2CCN(CC2)CC3=CC4=C(O3)C=CC(=C4)C5=CSC=C5

InChI

InChI=1S/C25H26N2O3S2/c1-32(28,29)25-5-3-2-4-20(25)16-26-9-11-27(12-10-26)17-23-15-22-14-19(6-7-24(22)30-23)21-8-13-31-18-21/h2-8,13-15,18H,9-12,16-17H2,1H3