4-[[4-(5-bromanylthiophen-2-yl)sulfonylpiperazin-1-yl]methyl]-7-methoxy-chromen-2-one

Systemtic Name: 4-[[4-(5-bromanylthiophen-2-yl)sulfonylpiperazin-1-yl]methyl]-7-methoxy-chromen-2-one Openeye Name: 4-[[4-[(5-bromo-2-thienyl)sulfonyl]piperazin-1-yl]methyl]-7-methoxy-chromen-2-one CAS Name: 4-[[4-[(5-bromo-2-thiophenyl)sulfonyl]-1-piperazinyl]methyl]-7-methoxy-1-benzopyran-2-one IUPAC Name: 4-[[4-(5-bromothiophen-2-yl)sulfonylpiperazin-1-yl]methyl]-7-methoxychromen-2-one Traditional Name: 4-[[4-[(5-bromo-2-thienyl)sulfonyl]piperazino]methyl]-7-methoxy-coumarin Formula: C19H19BrN2O5S2 MolecularWeight: 499.39856

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)C(=CC(=O)O2)CN3CCN(CC3)S(=O)(=O)C4=CC=C(S4)Br

Isomeric SMILES

COC1=CC2=C(C=C1)C(=CC(=O)O2)CN3CCN(CC3)S(=O)(=O)C4=CC=C(S4)Br

InChI

InChI=1S/C19H19BrN2O5S2/c1-26-14-2-3-15-13(10-18(23)27-16(15)11-14)12-21-6-8-22(9-7-21)29(24,25)19-5-4-17(20)28-19/h2-5,10-11H,6-9,12H2,1H3