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

Systemtic Name: 3-[6-oxidanylidene-8-[2-(phenylsulfonylamino)propylcarbamoyl]quinolizin-3-yl]oxypropylcarbamoylboron Openeye Name: 3-[8-[2-(benzenesulfonamido)propylcarbamoyl]-6-oxo-quinolizin-3-yl]oxypropylcarbamoylboron CAS Name: [[3-[[8-[[2-(benzenesulfonamido)propylamino]-oxomethyl]-6-oxo-3-quinolizinyl]oxy]propylamino]-oxomethyl]boron IUPAC Name: 3-[8-[2-(benzenesulfonamido)propylcarbamoyl]-6-oxoquinolizin-3-yl]oxypropylcarbamoylboron Traditional Name: 3-[8-[2-(benzenesulfonamido)propylcarbamoyl]-6-keto-quinolizin-3-yl]oxypropylcarbamoylboron Formula: C23H25BN4O6S MolecularWeight: 496.3438

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Descriptors Computed from Structure

Canonical SMILES:

[B]C(=O)NCCCOC1=CN2C(=CC(=CC2=O)C(=O)NCC(C)NS(=O)(=O)C3=CC=CC=C3)C=C1

Isomeric SMILES

[B]C(=O)NCCCOC1=CN2C(=CC(=CC2=O)C(=O)NCC(C)NS(=O)(=O)C3=CC=CC=C3)C=C1

InChI

InChI=1S/C23H25BN4O6S/c1-16(27-35(32,33)20-6-3-2-4-7-20)14-26-22(30)17-12-18-8-9-19(15-28(18)21(29)13-17)34-11-5-10-25-23(24)31/h2-4,6-9,12-13,15-16,27H,5,10-11,14H2,1H3,(H,25,31)(H,26,30)