2-[4-(phenylsulfonyl)piperazin-1-yl]ethyl 3-oxidanylidenebenzo[f]chromene-2-carboxylate

Systemtic Name: 2-[4-(phenylsulfonyl)piperazin-1-yl]ethyl 3-oxidanylidenebenzo[f]chromene-2-carboxylate Openeye Name: 2-[4-(benzenesulfonyl)piperazin-1-yl]ethyl 3-oxobenzo[f]chromene-2-carboxylate CAS Name: 3-oxo-2-benzo[f][1]benzopyrancarboxylic acid 2-[4-(benzenesulfonyl)-1-piperazinyl]ethyl ester IUPAC Name: 2-[4-(benzenesulfonyl)piperazin-1-yl]ethyl 3-oxobenzo[f]chromene-2-carboxylate Traditional Name: 3-ketobenzo[f]chromene-2-carboxylic acid 2-(4-besylpiperazino)ethyl ester Formula: C26H24N2O6S MolecularWeight: 492.54356

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCOC(=O)C2=CC3=C(C=CC4=CC=CC=C43)OC2=O)S(=O)(=O)C5=CC=CC=C5

Isomeric SMILES

C1CN(CCN1CCOC(=O)C2=CC3=C(C=CC4=CC=CC=C43)OC2=O)S(=O)(=O)C5=CC=CC=C5

InChI

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