[6-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propoxy]-2-oxidanylidene-chromen-4-yl] benzenesulfonate

Systemtic Name: [6-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propoxy]-2-oxidanylidene-chromen-4-yl] benzenesulfonate Openeye Name: [6-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propoxy]-2-oxo-chromen-4-yl] benzenesulfonate CAS Name: benzenesulfonic acid [6-[3-[4-(4-methoxyphenyl)-1-piperazinyl]propoxy]-2-oxo-1-benzopyran-4-yl] ester IUPAC Name: [6-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propoxy]-2-oxochromen-4-yl] benzenesulfonate Traditional Name: benzenesulfonic acid [2-keto-6-[3-[4-(4-methoxyphenyl)piperazino]propoxy]chromen-4-yl] ester Formula: C29H30N2O7S MolecularWeight: 550.6227

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2CCN(CC2)CCCOC3=CC4=C(C=C3)OC(=O)C=C4OS(=O)(=O)C5=CC=CC=C5

Isomeric SMILES

COC1=CC=C(C=C1)N2CCN(CC2)CCCOC3=CC4=C(C=C3)OC(=O)C=C4OS(=O)(=O)C5=CC=CC=C5

InChI

InChI=1S/C29H30N2O7S/c1-35-23-10-8-22(9-11-23)31-17-15-30(16-18-31)14-5-19-36-24-12-13-27-26(20-24)28(21-29(32)37-27)38-39(33,34)25-6-3-2-4-7-25/h2-4,6-13,20-21H,5,14-19H2,1H3