N-[2-[1,3-bis(oxidanylidene)benzo[de]isoquinolin-2-yl]ethyl]-N-(3-fluorophenyl)-1-(phenylsulfonyl)piperidine-4-carboxamide

Systemtic Name: N-[2-[1,3-bis(oxidanylidene)benzo[de]isoquinolin-2-yl]ethyl]-N-(3-fluorophenyl)-1-(phenylsulfonyl)piperidine-4-carboxamide Openeye Name: 1-(benzenesulfonyl)-N-[2-(1,3-dioxobenzo[de]isoquinolin-2-yl)ethyl]-N-(3-fluorophenyl)piperidine-4-carboxamide CAS Name: 1-(benzenesulfonyl)-N-[2-(1,3-dioxo-2-benzo[de]isoquinolinyl)ethyl]-N-(3-fluorophenyl)-4-piperidinecarboxamide IUPAC Name: 1-(benzenesulfonyl)-N-[2-(1,3-dioxobenzo[de]isoquinolin-2-yl)ethyl]-N-(3-fluorophenyl)piperidine-4-carboxamide Traditional Name: 1-besyl-N-[2-(1,3-diketobenzo[de]isoquinolin-2-yl)ethyl]-N-(3-fluorophenyl)isonipecotamide Formula: C32H28FN3O5S MolecularWeight: 585.645223

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)N(CCN2C(=O)C3=CC=CC4=C3C(=CC=C4)C2=O)C5=CC(=CC=C5)F)S(=O)(=O)C6=CC=CC=C6

Isomeric SMILES

C1CN(CCC1C(=O)N(CCN2C(=O)C3=CC=CC4=C3C(=CC=C4)C2=O)C5=CC(=CC=C5)F)S(=O)(=O)C6=CC=CC=C6

InChI

InChI=1S/C32H28FN3O5S/c33-24-9-6-10-25(21-24)35(30(37)23-15-17-34(18-16-23)42(40,41)26-11-2-1-3-12-26)19-20-36-31(38)27-13-4-7-22-8-5-14-28(29(22)27)32(36)39/h1-14,21,23H,15-20H2