4-[3-[4-[(2-bromanyl-5-methoxy-phenyl)methyl]piperidin-1-yl]propyl]-1-methylsulfonyl-piperidine

Systemtic Name: 4-[3-[4-[(2-bromanyl-5-methoxy-phenyl)methyl]piperidin-1-yl]propyl]-1-methylsulfonyl-piperidine Openeye Name: 4-[3-[4-[(2-bromo-5-methoxy-phenyl)methyl]-1-piperidyl]propyl]-1-methylsulfonyl-piperidine CAS Name: 4-[3-[4-[(2-bromo-5-methoxyphenyl)methyl]-1-piperidinyl]propyl]-1-methylsulfonylpiperidine IUPAC Name: 4-[3-[4-[(2-bromo-5-methoxyphenyl)methyl]piperidin-1-yl]propyl]-1-methylsulfonylpiperidine Traditional Name: 4-[3-[4-(2-bromo-5-methoxy-benzyl)piperidino]propyl]-1-mesyl-piperidine Formula: C22H35BrN2O3S MolecularWeight: 487.4939

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)Br)CC2CCN(CC2)CCCC3CCN(CC3)S(=O)(=O)C

Isomeric SMILES

COC1=CC(=C(C=C1)Br)CC2CCN(CC2)CCCC3CCN(CC3)S(=O)(=O)C

InChI

InChI=1S/C22H35BrN2O3S/c1-28-21-5-6-22(23)20(17-21)16-19-7-12-24(13-8-19)11-3-4-18-9-14-25(15-10-18)29(2,26)27/h5-6,17-19H,3-4,7-16H2,1-2H3