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

Systemtic Name: 4-[3-[4-[(2-bromanyl-5-chloranyl-phenyl)methyl]piperidin-1-yl]propyl]-1-methylsulfonyl-piperidine Openeye Name: 4-[3-[4-[(2-bromo-5-chloro-phenyl)methyl]-1-piperidyl]propyl]-1-methylsulfonyl-piperidine CAS Name: 4-[3-[4-[(2-bromo-5-chlorophenyl)methyl]-1-piperidinyl]propyl]-1-methylsulfonylpiperidine IUPAC Name: 4-[3-[4-[(2-bromo-5-chlorophenyl)methyl]piperidin-1-yl]propyl]-1-methylsulfonylpiperidine Traditional Name: 4-[3-[4-(2-bromo-5-chloro-benzyl)piperidino]propyl]-1-mesyl-piperidine Formula: C21H32BrClN2O2S MolecularWeight: 491.91298

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CCC(CC1)CCCN2CCC(CC2)CC3=C(C=CC(=C3)Cl)Br

Isomeric SMILES

CS(=O)(=O)N1CCC(CC1)CCCN2CCC(CC2)CC3=C(C=CC(=C3)Cl)Br

InChI

InChI=1S/C21H32BrClN2O2S/c1-28(26,27)25-13-8-17(9-14-25)3-2-10-24-11-6-18(7-12-24)15-19-16-20(23)4-5-21(19)22/h4-5,16-18H,2-3,6-15H2,1H3