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

Systemtic Name: [7-[3-[4-(4-nitrophenyl)piperazin-1-yl]propoxy]-2-oxidanylidene-chromen-4-yl] benzenesulfonate Openeye Name: [7-[3-[4-(4-nitrophenyl)piperazin-1-yl]propoxy]-2-oxo-chromen-4-yl] benzenesulfonate CAS Name: benzenesulfonic 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] benzenesulfonate Traditional Name: benzenesulfonic acid [2-keto-7-[3-[4-(4-nitrophenyl)piperazino]propoxy]chromen-4-yl] ester Formula: C28H27N3O8S MolecularWeight: 565.59428

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCCOC2=CC3=C(C=C2)C(=CC(=O)O3)OS(=O)(=O)C4=CC=CC=C4)C5=CC=C(C=C5)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1CCCOC2=CC3=C(C=C2)C(=CC(=O)O3)OS(=O)(=O)C4=CC=CC=C4)C5=CC=C(C=C5)[N+](=O)[O-]

InChI

InChI=1S/C28H27N3O8S/c32-28-20-27(39-40(35,36)24-5-2-1-3-6-24)25-12-11-23(19-26(25)38-28)37-18-4-13-29-14-16-30(17-15-29)21-7-9-22(10-8-21)31(33)34/h1-3,5-12,19-20H,4,13-18H2