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

Systemtic Name: [6-oxidanylidene-8-[2-(phenylsulfonylamino)propylcarbamoyl]quinolizin-3-yl]methylcarbamoylboron Openeye Name: [8-[2-(benzenesulfonamido)propylcarbamoyl]-6-oxo-quinolizin-3-yl]methylcarbamoylboron CAS Name: [[[8-[[2-(benzenesulfonamido)propylamino]-oxomethyl]-6-oxo-3-quinolizinyl]methylamino]-oxomethyl]boron IUPAC Name: [8-[2-(benzenesulfonamido)propylcarbamoyl]-6-oxoquinolizin-3-yl]methylcarbamoylboron Traditional Name: [8-[2-(benzenesulfonamido)propylcarbamoyl]-6-keto-quinolizin-3-yl]methylcarbamoylboron Formula: C21H21BN4O5S MolecularWeight: 452.29124

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Descriptors Computed from Structure

Canonical SMILES:

[B]C(=O)NCC1=CN2C(=CC(=CC2=O)C(=O)NCC(C)NS(=O)(=O)C3=CC=CC=C3)C=C1

Isomeric SMILES

[B]C(=O)NCC1=CN2C(=CC(=CC2=O)C(=O)NCC(C)NS(=O)(=O)C3=CC=CC=C3)C=C1

InChI

InChI=1S/C21H21BN4O5S/c1-14(25-32(30,31)18-5-3-2-4-6-18)11-23-20(28)16-9-17-8-7-15(12-24-21(22)29)13-26(17)19(27)10-16/h2-10,13-14,25H,11-12H2,1H3,(H,23,28)(H,24,29)