methyl-[3-[[phenyl(thiophen-2-ylsulfonyl)amino]methyl]piperidin-1-yl]borinic acid

Systemtic Name: methyl-[3-[[phenyl(thiophen-2-ylsulfonyl)amino]methyl]piperidin-1-yl]borinic acid Openeye Name: methyl-[3-[[N-(2-thienylsulfonyl)anilino]methyl]-1-piperidyl]borinic acid CAS Name: methyl-[3-[(N-thiophen-2-ylsulfonylanilino)methyl]-1-piperidinyl]borinic acid IUPAC Name: methyl-[3-[(N-thiophen-2-ylsulfonylanilino)methyl]piperidin-1-yl]borinic acid Traditional Name: methyl-[3-[[N-(2-thienylsulfonyl)anilino]methyl]piperidino]borinic acid Formula: C17H23BN2O3S2 MolecularWeight: 378.31712

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

B(C)(N1CCCC(C1)CN(C2=CC=CC=C2)S(=O)(=O)C3=CC=CS3)O

Isomeric SMILES

B(C)(N1CCCC(C1)CN(C2=CC=CC=C2)S(=O)(=O)C3=CC=CS3)O

InChI

InChI=1S/C17H23BN2O3S2/c1-18(21)19-11-5-7-15(13-19)14-20(16-8-3-2-4-9-16)25(22,23)17-10-6-12-24-17/h2-4,6,8-10,12,15,21H,5,7,11,13-14H2,1H3