methyl-[3-[[methylsulfonyl(phenyl)amino]methyl]piperidin-1-yl]borinic acid

Systemtic Name: methyl-[3-[[methylsulfonyl(phenyl)amino]methyl]piperidin-1-yl]borinic acid Openeye Name: methyl-[3-[(N-methylsulfonylanilino)methyl]-1-piperidyl]borinic acid CAS Name: methyl-[3-[(N-methylsulfonylanilino)methyl]-1-piperidinyl]borinic acid IUPAC Name: methyl-[3-[(N-methylsulfonylanilino)methyl]piperidin-1-yl]borinic acid Traditional Name: [3-[(N-mesylanilino)methyl]piperidino]-methyl-borinic acid Formula: C14H23BN2O3S MolecularWeight: 310.22002

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H23BN2O3S/c1-15(18)16-10-6-7-13(11-16)12-17(21(2,19)20)14-8-4-3-5-9-14/h3-5,8-9,13,18H,6-7,10-12H2,1-2H3