4-[6-oxidanylidene-8-[2-(phenylsulfonylamino)propylcarbamoyl]quinolizin-3-yl]oxybutylcarbamoylboron

Systemtic Name: 4-[6-oxidanylidene-8-[2-(phenylsulfonylamino)propylcarbamoyl]quinolizin-3-yl]oxybutylcarbamoylboron Openeye Name: 4-[8-[2-(benzenesulfonamido)propylcarbamoyl]-6-oxo-quinolizin-3-yl]oxybutylcarbamoylboron CAS Name: [[4-[[8-[[2-(benzenesulfonamido)propylamino]-oxomethyl]-6-oxo-3-quinolizinyl]oxy]butylamino]-oxomethyl]boron IUPAC Name: 4-[8-[2-(benzenesulfonamido)propylcarbamoyl]-6-oxoquinolizin-3-yl]oxybutylcarbamoylboron Traditional Name: 4-[8-[2-(benzenesulfonamido)propylcarbamoyl]-6-keto-quinolizin-3-yl]oxybutylcarbamoylboron Formula: C24H27BN4O6S MolecularWeight: 510.37038

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Descriptors Computed from Structure

Canonical SMILES:

[B]C(=O)NCCCCOC1=CN2C(=CC(=CC2=O)C(=O)NCC(C)NS(=O)(=O)C3=CC=CC=C3)C=C1

Isomeric SMILES

[B]C(=O)NCCCCOC1=CN2C(=CC(=CC2=O)C(=O)NCC(C)NS(=O)(=O)C3=CC=CC=C3)C=C1

InChI

InChI=1S/C24H27BN4O6S/c1-17(28-36(33,34)21-7-3-2-4-8-21)15-27-23(31)18-13-19-9-10-20(16-29(19)22(30)14-18)35-12-6-5-11-26-24(25)32/h2-4,7-10,13-14,16-17,28H,5-6,11-12,15H2,1H3,(H,26,32)(H,27,31)