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

Systemtic Name: 1-[(2-methylsulfonylphenyl)methyl]-4-[(5-pyridin-3-yl-1-benzofuran-2-yl)methyl]piperazine hydrochloride Openeye Name: 1-[(2-methylsulfonylphenyl)methyl]-4-[[5-(3-pyridyl)benzofuran-2-yl]methyl]piperazine hydrochloride CAS Name: 1-[(2-methylsulfonylphenyl)methyl]-4-[[5-(3-pyridinyl)-2-benzofuranyl]methyl]piperazine hydrochloride IUPAC Name: 1-[(2-methylsulfonylphenyl)methyl]-4-[(5-pyridin-3-yl-1-benzofuran-2-yl)methyl]piperazine hydrochloride Traditional Name: 1-(2-mesylbenzyl)-4-[[5-(3-pyridyl)benzofuran-2-yl]methyl]piperazine hydrochloride Formula: C26H28ClN3O3S MolecularWeight: 498.03682

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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=CN=CC=C5.Cl

Isomeric SMILES

CS(=O)(=O)C1=CC=CC=C1CN2CCN(CC2)CC3=CC4=C(O3)C=CC(=C4)C5=CN=CC=C5.Cl

InChI

InChI=1S/C26H27N3O3S.ClH/c1-33(30,31)26-7-3-2-5-22(26)18-28-11-13-29(14-12-28)19-24-16-23-15-20(8-9-25(23)32-24)21-6-4-10-27-17-21;/h2-10,15-17H,11-14,18-19H2,1H3;1H