methyl-[3-[[phenyl(quinolin-8-ylsulfonyl)amino]methyl]piperidin-1-yl]borinic acid

Systemtic Name: methyl-[3-[[phenyl(quinolin-8-ylsulfonyl)amino]methyl]piperidin-1-yl]borinic acid Openeye Name: methyl-[3-[[N-(8-quinolylsulfonyl)anilino]methyl]-1-piperidyl]borinic acid CAS Name: methyl-[3-[[N-(8-quinolinylsulfonyl)anilino]methyl]-1-piperidinyl]borinic acid IUPAC Name: methyl-[3-[(N-quinolin-8-ylsulfonylanilino)methyl]piperidin-1-yl]borinic acid Traditional Name: methyl-[3-[[N-(8-quinolylsulfonyl)anilino]methyl]piperidino]borinic acid Formula: C22H26BN3O3S MolecularWeight: 423.33614

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Descriptors Computed from Structure

Canonical SMILES:

B(C)(N1CCCC(C1)CN(C2=CC=CC=C2)S(=O)(=O)C3=CC=CC4=C3N=CC=C4)O

Isomeric SMILES

B(C)(N1CCCC(C1)CN(C2=CC=CC=C2)S(=O)(=O)C3=CC=CC4=C3N=CC=C4)O

InChI

InChI=1S/C22H26BN3O3S/c1-23(27)25-15-7-8-18(16-25)17-26(20-11-3-2-4-12-20)30(28,29)21-13-5-9-19-10-6-14-24-22(19)21/h2-6,9-14,18,27H,7-8,15-17H2,1H3