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1-[[5-(5-ethylsulfonyl-2-methoxy-phenyl)-1H-pyrrol-2-yl]methyl]azocane hydrochloride
1-[[5-(5-ethylsulfonyl-2-methoxy-phenyl)-1H-pyrrol-2-yl]methyl]azocane hydrochloride
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Descriptors Computed from Structure
Canonical SMILES:
CCS(=O)(=O)C1=CC(=C(C=C1)OC)C2=CC=C(N2)CN3CCCCCCC3.Cl
Isomeric SMILES
CCS(=O)(=O)C1=CC(=C(C=C1)OC)C2=CC=C(N2)CN3CCCCCCC3.Cl
InChI
InChI=1S/C21H30N2O3S.ClH/c1-3-27(24,25)18-10-12-21(26-2)19(15-18)20-11-9-17(22-20)16-23-13-7-5-4-6-8-14-23;/h9-12,15,22H,3-8,13-14,16H2,1-2H3;1H
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