[4-[(4-but-2-ynoxyphenyl)sulfonylmethyl]-4-methyl-piperidin-1-yl]-methyl-borinic acid

Systemtic Name: [4-[(4-but-2-ynoxyphenyl)sulfonylmethyl]-4-methyl-piperidin-1-yl]-methyl-borinic acid Openeye Name: [4-[(4-but-2-ynoxyphenyl)sulfonylmethyl]-4-methyl-1-piperidyl]-methyl-borinic acid CAS Name: [4-[(4-but-2-ynoxyphenyl)sulfonylmethyl]-4-methyl-1-piperidinyl]-methylborinic acid IUPAC Name: [4-[(4-but-2-ynoxyphenyl)sulfonylmethyl]-4-methylpiperidin-1-yl]-methylborinic acid Traditional Name: [4-[(4-but-2-ynoxyphenyl)sulfonylmethyl]-4-methyl-piperidino]-methyl-borinic acid Formula: C18H26BNO4S MolecularWeight: 363.27934

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Descriptors Computed from Structure

Canonical SMILES:

B(C)(N1CCC(CC1)(C)CS(=O)(=O)C2=CC=C(C=C2)OCC#CC)O

Isomeric SMILES

B(C)(N1CCC(CC1)(C)CS(=O)(=O)C2=CC=C(C=C2)OCC#CC)O

InChI

InChI=1S/C18H26BNO4S/c1-4-5-14-24-16-6-8-17(9-7-16)25(22,23)15-18(2)10-12-20(13-11-18)19(3)21/h6-9,21H,10-15H2,1-3H3