2-[6-oxidanylidene-8-[2-(phenylsulfonylamino)propylcarbamoyl]quinolizin-3-yl]oxyethylcarbamoylboron

Systemtic Name: 2-[6-oxidanylidene-8-[2-(phenylsulfonylamino)propylcarbamoyl]quinolizin-3-yl]oxyethylcarbamoylboron Openeye Name: 2-[8-[2-(benzenesulfonamido)propylcarbamoyl]-6-oxo-quinolizin-3-yl]oxyethylcarbamoylboron CAS Name: [[2-[[8-[[2-(benzenesulfonamido)propylamino]-oxomethyl]-6-oxo-3-quinolizinyl]oxy]ethylamino]-oxomethyl]boron IUPAC Name: 2-[8-[2-(benzenesulfonamido)propylcarbamoyl]-6-oxoquinolizin-3-yl]oxyethylcarbamoylboron Traditional Name: 2-[8-[2-(benzenesulfonamido)propylcarbamoyl]-6-keto-quinolizin-3-yl]oxyethylcarbamoylboron Formula: C22H23BN4O6S MolecularWeight: 482.31722

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Descriptors Computed from Structure

Canonical SMILES:

[B]C(=O)NCCOC1=CN2C(=CC(=CC2=O)C(=O)NCC(C)NS(=O)(=O)C3=CC=CC=C3)C=C1

Isomeric SMILES

[B]C(=O)NCCOC1=CN2C(=CC(=CC2=O)C(=O)NCC(C)NS(=O)(=O)C3=CC=CC=C3)C=C1

InChI

InChI=1S/C22H23BN4O6S/c1-15(26-34(31,32)19-5-3-2-4-6-19)13-25-21(29)16-11-17-7-8-18(14-27(17)20(28)12-16)33-10-9-24-22(23)30/h2-8,11-12,14-15,26H,9-10,13H2,1H3,(H,24,30)(H,25,29)