N-[[5-(4-methylsulfonylphenyl)-1-benzofuran-7-yl]methyl]-2-phenyl-piperidin-3-amine dihydrochloride

Systemtic Name: N-[[5-(4-methylsulfonylphenyl)-1-benzofuran-7-yl]methyl]-2-phenyl-piperidin-3-amine dihydrochloride Openeye Name: N-[[5-(4-methylsulfonylphenyl)benzofuran-7-yl]methyl]-2-phenyl-piperidin-3-amine dihydrochloride CAS Name: N-[[5-(4-methylsulfonylphenyl)-7-benzofuranyl]methyl]-2-phenyl-3-piperidinamine dihydrochloride IUPAC Name: N-[[5-(4-methylsulfonylphenyl)-1-benzofuran-7-yl]methyl]-2-phenylpiperidin-3-amine dihydrochloride Traditional Name: [5-(4-mesylphenyl)benzofuran-7-yl]methyl-(2-phenyl-3-piperidyl)amine dihydrochloride Formula: C27H30Cl2N2O3S MolecularWeight: 533.5097

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=C(C=C1)C2=CC(=C3C(=C2)C=CO3)CNC4CCCNC4C5=CC=CC=C5.Cl.Cl

Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)C2=CC(=C3C(=C2)C=CO3)CNC4CCCNC4C5=CC=CC=C5.Cl.Cl

InChI

InChI=1S/C27H28N2O3S.2ClH/c1-33(30,31)24-11-9-19(10-12-24)22-16-21-13-15-32-27(21)23(17-22)18-29-25-8-5-14-28-26(25)20-6-3-2-4-7-20;;/h2-4,6-7,9-13,15-17,25-26,28-29H,5,8,14,18H2,1H3;2*1H