3-(1,3-benzodioxol-5-yl)-1-[4-(5-bromanylthiophen-2-yl)sulfonylpiperazin-1-yl]propan-1-one

Systemtic Name: 3-(1,3-benzodioxol-5-yl)-1-[4-(5-bromanylthiophen-2-yl)sulfonylpiperazin-1-yl]propan-1-one Openeye Name: 3-(1,3-benzodioxol-5-yl)-1-[4-[(5-bromo-2-thienyl)sulfonyl]piperazin-1-yl]propan-1-one CAS Name: 3-(1,3-benzodioxol-5-yl)-1-[4-[(5-bromo-2-thiophenyl)sulfonyl]-1-piperazinyl]-1-propanone IUPAC Name: 3-(1,3-benzodioxol-5-yl)-1-[4-(5-bromothiophen-2-yl)sulfonylpiperazin-1-yl]propan-1-one Traditional Name: 3-(1,3-benzodioxol-5-yl)-1-[4-[(5-bromo-2-thienyl)sulfonyl]piperazino]propan-1-one Formula: C18H19BrN2O5S2 MolecularWeight: 487.38786

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)CCC2=CC3=C(C=C2)OCO3)S(=O)(=O)C4=CC=C(S4)Br

Isomeric SMILES

C1CN(CCN1C(=O)CCC2=CC3=C(C=C2)OCO3)S(=O)(=O)C4=CC=C(S4)Br

InChI

InChI=1S/C18H19BrN2O5S2/c19-16-4-6-18(27-16)28(23,24)21-9-7-20(8-10-21)17(22)5-2-13-1-3-14-15(11-13)26-12-25-14/h1,3-4,6,11H,2,5,7-10,12H2