[2-oxidanylidene-2-[4-(phenylsulfonyl)piperazin-1-yl]ethyl] anthracene-9-carboxylate

Systemtic Name: [2-oxidanylidene-2-[4-(phenylsulfonyl)piperazin-1-yl]ethyl] anthracene-9-carboxylate Openeye Name: [2-[4-(benzenesulfonyl)piperazin-1-yl]-2-oxo-ethyl] anthracene-9-carboxylate CAS Name: 9-anthracenecarboxylic acid [2-[4-(benzenesulfonyl)-1-piperazinyl]-2-oxoethyl] ester IUPAC Name: [2-[4-(benzenesulfonyl)piperazin-1-yl]-2-oxoethyl] anthracene-9-carboxylate Traditional Name: anthracene-9-carboxylic acid [2-(4-besylpiperazino)-2-keto-ethyl] ester Formula: C27H24N2O5S MolecularWeight: 488.55486

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)COC(=O)C2=C3C=CC=CC3=CC4=CC=CC=C42)S(=O)(=O)C5=CC=CC=C5

Isomeric SMILES

C1CN(CCN1C(=O)COC(=O)C2=C3C=CC=CC3=CC4=CC=CC=C42)S(=O)(=O)C5=CC=CC=C5

InChI

InChI=1S/C27H24N2O5S/c30-25(28-14-16-29(17-15-28)35(32,33)22-10-2-1-3-11-22)19-34-27(31)26-23-12-6-4-8-20(23)18-21-9-5-7-13-24(21)26/h1-13,18H,14-17,19H2