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

Systemtic Name: 1-(3-methoxyphenyl)sulfonyl-4-[(5-pyridin-3-yl-1-benzofuran-2-yl)methyl]piperazine hydrochloride Openeye Name: 1-(3-methoxyphenyl)sulfonyl-4-[[5-(3-pyridyl)benzofuran-2-yl]methyl]piperazine hydrochloride CAS Name: 1-(3-methoxyphenyl)sulfonyl-4-[[5-(3-pyridinyl)-2-benzofuranyl]methyl]piperazine hydrochloride IUPAC Name: 1-(3-methoxyphenyl)sulfonyl-4-[(5-pyridin-3-yl-1-benzofuran-2-yl)methyl]piperazine hydrochloride Traditional Name: 1-(3-methoxyphenyl)sulfonyl-4-[[5-(3-pyridyl)benzofuran-2-yl]methyl]piperazine hydrochloride Formula: C25H26ClN3O4S MolecularWeight: 500.00964

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC=C1)S(=O)(=O)N2CCN(CC2)CC3=CC4=C(O3)C=CC(=C4)C5=CN=CC=C5.Cl

Isomeric SMILES

COC1=CC(=CC=C1)S(=O)(=O)N2CCN(CC2)CC3=CC4=C(O3)C=CC(=C4)C5=CN=CC=C5.Cl

InChI

InChI=1S/C25H25N3O4S.ClH/c1-31-22-5-2-6-24(16-22)33(29,30)28-12-10-27(11-13-28)18-23-15-21-14-19(7-8-25(21)32-23)20-4-3-9-26-17-20;/h2-9,14-17H,10-13,18H2,1H3;1H