3-bromanyl-5-ethylsulfonyl-1-azabicyclo[3.1.0]hexane; 2-[(2-methoxyphenyl)methyl]-1H-pyrrole

Systemtic Name: 3-bromanyl-5-ethylsulfonyl-1-azabicyclo[3.1.0]hexane; 2-[(2-methoxyphenyl)methyl]-1H-pyrrole Openeye Name: 3-bromo-5-ethylsulfonyl-1-azabicyclo[3.1.0]hexane; 2-[(2-methoxyphenyl)methyl]-1H-pyrrole CAS Name: 3-bromo-5-ethylsulfonyl-1-azabicyclo[3.1.0]hexane; 2-[(2-methoxyphenyl)methyl]-1H-pyrrole IUPAC Name: 3-bromo-5-ethylsulfonyl-1-azabicyclo[3.1.0]hexane; 2-[(2-methoxyphenyl)methyl]-1H-pyrrole Traditional Name: 3-bromo-5-esyl-1-azabicyclo[3.1.0]hexane; 2-o-anisyl-1H-pyrrole Formula: C19H25BrN2O3S MolecularWeight: 441.3824

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)C12CC(CN1C2)Br.COC1=CC=CC=C1CC2=CC=CN2

Isomeric SMILES

CCS(=O)(=O)C12CC(CN1C2)Br.COC1=CC=CC=C1CC2=CC=CN2

InChI

InChI=1S/C12H13NO.C7H12BrNO2S/c1-14-12-7-3-2-5-10(12)9-11-6-4-8-13-11;1-2-12(10,11)7-3-6(8)4-9(7)5-7/h2-8,13H,9H2,1H3;6H,2-5H2,1H3