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

Systemtic Name: 3-[2-[3-[[2-bromanyl-5-(1-methoxyethoxy)phenyl]methyl]pyrrolidin-1-yl]ethyl]-1-methylsulfonyl-piperidine Openeye Name: 3-[2-[3-[[2-bromo-5-(1-methoxyethoxy)phenyl]methyl]pyrrolidin-1-yl]ethyl]-1-methylsulfonyl-piperidine CAS Name: 3-[2-[3-[[2-bromo-5-(1-methoxyethoxy)phenyl]methyl]-1-pyrrolidinyl]ethyl]-1-methylsulfonylpiperidine IUPAC Name: 3-[2-[3-[[2-bromo-5-(1-methoxyethoxy)phenyl]methyl]pyrrolidin-1-yl]ethyl]-1-methylsulfonylpiperidine Traditional Name: 3-[2-[3-[2-bromo-5-(1-methoxyethoxy)benzyl]pyrrolidino]ethyl]-1-mesyl-piperidine Formula: C22H35BrN2O4S MolecularWeight: 503.4933

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Descriptors Computed from Structure

Canonical SMILES:

CC(OC)OC1=CC(=C(C=C1)Br)CC2CCN(C2)CCC3CCCN(C3)S(=O)(=O)C

Isomeric SMILES

CC(OC)OC1=CC(=C(C=C1)Br)CC2CCN(C2)CCC3CCCN(C3)S(=O)(=O)C

InChI

InChI=1S/C22H35BrN2O4S/c1-17(28-2)29-21-6-7-22(23)20(14-21)13-19-9-12-24(15-19)11-8-18-5-4-10-25(16-18)30(3,26)27/h6-7,14,17-19H,4-5,8-13,15-16H2,1-3H3