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

Systemtic Name: [2-oxidanylidene-2-[4-(phenylsulfonyl)piperazin-1-yl]ethyl] 9H-xanthene-9-carboxylate Openeye Name: [2-[4-(benzenesulfonyl)piperazin-1-yl]-2-oxo-ethyl] 9H-xanthene-9-carboxylate CAS Name: 9H-xanthene-9-carboxylic acid [2-[4-(benzenesulfonyl)-1-piperazinyl]-2-oxoethyl] ester IUPAC Name: [2-[4-(benzenesulfonyl)piperazin-1-yl]-2-oxoethyl] 9H-xanthene-9-carboxylate Traditional Name: 9H-xanthene-9-carboxylic acid [2-(4-besylpiperazino)-2-keto-ethyl] ester Formula: C26H24N2O6S MolecularWeight: 492.54356

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)COC(=O)C2C3=CC=CC=C3OC4=CC=CC=C24)S(=O)(=O)C5=CC=CC=C5

Isomeric SMILES

C1CN(CCN1C(=O)COC(=O)C2C3=CC=CC=C3OC4=CC=CC=C24)S(=O)(=O)C5=CC=CC=C5

InChI

InChI=1S/C26H24N2O6S/c29-24(27-14-16-28(17-15-27)35(31,32)19-8-2-1-3-9-19)18-33-26(30)25-20-10-4-6-12-22(20)34-23-13-7-5-11-21(23)25/h1-13,25H,14-18H2