3-[[3-(4-bromanylbutoxy)phenyl]methylsulfonylmethylidene]-1-(diphenylmethyl)azetidine

Systemtic Name: 3-[[3-(4-bromanylbutoxy)phenyl]methylsulfonylmethylidene]-1-(diphenylmethyl)azetidine Openeye Name: 1-benzhydryl-3-[[3-(4-bromobutoxy)phenyl]methylsulfonylmethylene]azetidine CAS Name: 3-[[3-(4-bromobutoxy)phenyl]methylsulfonylmethylidene]-1-(diphenylmethyl)azetidine IUPAC Name: 1-benzhydryl-3-[[3-(4-bromobutoxy)phenyl]methylsulfonylmethylidene]azetidine Traditional Name: 1-benzhydryl-3-[[3-(4-bromobutoxy)benzyl]sulfonylmethylene]azetidine Formula: C28H30BrNO3S MolecularWeight: 540.5117

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C(=CS(=O)(=O)CC2=CC(=CC=C2)OCCCCBr)CN1C(C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

C1C(=CS(=O)(=O)CC2=CC(=CC=C2)OCCCCBr)CN1C(C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C28H30BrNO3S/c29-16-7-8-17-33-27-15-9-10-23(18-27)21-34(31,32)22-24-19-30(20-24)28(25-11-3-1-4-12-25)26-13-5-2-6-14-26/h1-6,9-15,18,22,28H,7-8,16-17,19-21H2