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

Systemtic Name: 1-methylsulfonyl-4-[(5-pyridin-3-yl-1-benzofuran-2-yl)methyl]piperazine hydrochloride Openeye Name: 1-methylsulfonyl-4-[[5-(3-pyridyl)benzofuran-2-yl]methyl]piperazine hydrochloride CAS Name: 1-methylsulfonyl-4-[[5-(3-pyridinyl)-2-benzofuranyl]methyl]piperazine hydrochloride IUPAC Name: 1-methylsulfonyl-4-[(5-pyridin-3-yl-1-benzofuran-2-yl)methyl]piperazine hydrochloride Traditional Name: 1-mesyl-4-[[5-(3-pyridyl)benzofuran-2-yl]methyl]piperazine hydrochloride Formula: C19H22ClN3O3S MolecularWeight: 407.91428

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CCN(CC1)CC2=CC3=C(O2)C=CC(=C3)C4=CN=CC=C4.Cl

Isomeric SMILES

CS(=O)(=O)N1CCN(CC1)CC2=CC3=C(O2)C=CC(=C3)C4=CN=CC=C4.Cl

InChI

InChI=1S/C19H21N3O3S.ClH/c1-26(23,24)22-9-7-21(8-10-22)14-18-12-17-11-15(4-5-19(17)25-18)16-3-2-6-20-13-16;/h2-6,11-13H,7-10,14H2,1H3;1H