6-[[4-(4-bromanyl-2-chloranyl-phenyl)sulfonylpiperazin-1-yl]methyl]-1,3-benzodioxol-5-ol

Systemtic Name: 6-[[4-(4-bromanyl-2-chloranyl-phenyl)sulfonylpiperazin-1-yl]methyl]-1,3-benzodioxol-5-ol Openeye Name: 6-[[4-(4-bromo-2-chloro-phenyl)sulfonylpiperazin-1-yl]methyl]-1,3-benzodioxol-5-ol CAS Name: 6-[[4-(4-bromo-2-chlorophenyl)sulfonyl-1-piperazinyl]methyl]-1,3-benzodioxol-5-ol IUPAC Name: 6-[[4-(4-bromo-2-chlorophenyl)sulfonylpiperazin-1-yl]methyl]-1,3-benzodioxol-5-ol Traditional Name: 6-[[4-(4-bromo-2-chloro-phenyl)sulfonylpiperazino]methyl]sesamol Formula: C18H18BrClN2O5S MolecularWeight: 489.76792

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC3=C(C=C2O)OCO3)S(=O)(=O)C4=C(C=C(C=C4)Br)Cl

Isomeric SMILES

C1CN(CCN1CC2=CC3=C(C=C2O)OCO3)S(=O)(=O)C4=C(C=C(C=C4)Br)Cl

InChI

InChI=1S/C18H18BrClN2O5S/c19-13-1-2-18(14(20)8-13)28(24,25)22-5-3-21(4-6-22)10-12-7-16-17(9-15(12)23)27-11-26-16/h1-2,7-9,23H,3-6,10-11H2