3-[2-[3-[(2-bromanyl-5-methoxy-phenyl)methyl]pyrrolidin-1-yl]ethyl]-1-methylsulfonyl-piperidine

Systemtic Name: 3-[2-[3-[(2-bromanyl-5-methoxy-phenyl)methyl]pyrrolidin-1-yl]ethyl]-1-methylsulfonyl-piperidine Openeye Name: 3-[2-[3-[(2-bromo-5-methoxy-phenyl)methyl]pyrrolidin-1-yl]ethyl]-1-methylsulfonyl-piperidine CAS Name: 3-[2-[3-[(2-bromo-5-methoxyphenyl)methyl]-1-pyrrolidinyl]ethyl]-1-methylsulfonylpiperidine IUPAC Name: 3-[2-[3-[(2-bromo-5-methoxyphenyl)methyl]pyrrolidin-1-yl]ethyl]-1-methylsulfonylpiperidine Traditional Name: 3-[2-[3-(2-bromo-5-methoxy-benzyl)pyrrolidino]ethyl]-1-mesyl-piperidine Formula: C20H31BrN2O3S MolecularWeight: 459.44074

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)Br)CC2CCN(C2)CCC3CCCN(C3)S(=O)(=O)C

Isomeric SMILES

COC1=CC(=C(C=C1)Br)CC2CCN(C2)CCC3CCCN(C3)S(=O)(=O)C

InChI

InChI=1S/C20H31BrN2O3S/c1-26-19-5-6-20(21)18(13-19)12-17-8-11-22(14-17)10-7-16-4-3-9-23(15-16)27(2,24)25/h5-6,13,16-17H,3-4,7-12,14-15H2,1-2H3