3-[8-[2-[methyl(phenylsulfonyl)amino]propylcarbamoyl]-6-oxidanylidene-quinolizin-3-yl]oxypropylcarbamoylboron

Systemtic Name: 3-[8-[2-[methyl(phenylsulfonyl)amino]propylcarbamoyl]-6-oxidanylidene-quinolizin-3-yl]oxypropylcarbamoylboron Openeye Name: 3-[8-[2-[benzenesulfonyl(methyl)amino]propylcarbamoyl]-6-oxo-quinolizin-3-yl]oxypropylcarbamoylboron CAS Name: [[3-[[8-[[2-[benzenesulfonyl(methyl)amino]propylamino]-oxomethyl]-6-oxo-3-quinolizinyl]oxy]propylamino]-oxomethyl]boron IUPAC Name: 3-[8-[2-[benzenesulfonyl(methyl)amino]propylcarbamoyl]-6-oxoquinolizin-3-yl]oxypropylcarbamoylboron Traditional Name: 3-[8-[2-[besyl(methyl)amino]propylcarbamoyl]-6-keto-quinolizin-3-yl]oxypropylcarbamoylboron Formula: C24H27BN4O6S MolecularWeight: 510.37038

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H27BN4O6S/c1-17(28(2)36(33,34)21-7-4-3-5-8-21)15-27-23(31)18-13-19-9-10-20(16-29(19)22(30)14-18)35-12-6-11-26-24(25)32/h3-5,7-10,13-14,16-17H,6,11-12,15H2,1-2H3,(H,26,32)(H,27,31)