[7-[3-[4-(4-nitrophenyl)piperazin-1-yl]propoxy]-2-oxidanylidene-chromen-4-yl] methanesulfonate

Systemtic Name: [7-[3-[4-(4-nitrophenyl)piperazin-1-yl]propoxy]-2-oxidanylidene-chromen-4-yl] methanesulfonate Openeye Name: [7-[3-[4-(4-nitrophenyl)piperazin-1-yl]propoxy]-2-oxo-chromen-4-yl] methanesulfonate CAS Name: methanesulfonic acid [7-[3-[4-(4-nitrophenyl)-1-piperazinyl]propoxy]-2-oxo-1-benzopyran-4-yl] ester IUPAC Name: [7-[3-[4-(4-nitrophenyl)piperazin-1-yl]propoxy]-2-oxochromen-4-yl] methanesulfonate Traditional Name: methanesulfonic acid [2-keto-7-[3-[4-(4-nitrophenyl)piperazino]propoxy]chromen-4-yl] ester Formula: C23H25N3O8S MolecularWeight: 503.5249

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)OC1=CC(=O)OC2=C1C=CC(=C2)OCCCN3CCN(CC3)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CS(=O)(=O)OC1=CC(=O)OC2=C1C=CC(=C2)OCCCN3CCN(CC3)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C23H25N3O8S/c1-35(30,31)34-22-16-23(27)33-21-15-19(7-8-20(21)22)32-14-2-9-24-10-12-25(13-11-24)17-3-5-18(6-4-17)26(28)29/h3-8,15-16H,2,9-14H2,1H3