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

Systemtic Name: [4-(4-but-2-ynoxyphenyl)sulfonyl-4-methoxycarbonyl-piperidin-1-yl]-methyl-borinic acid Openeye Name: [4-(4-but-2-ynoxyphenyl)sulfonyl-4-methoxycarbonyl-1-piperidyl]-methyl-borinic acid CAS Name: [4-(4-but-2-ynoxyphenyl)sulfonyl-4-methoxycarbonyl-1-piperidinyl]-methylborinic acid IUPAC Name: [4-(4-but-2-ynoxyphenyl)sulfonyl-4-methoxycarbonylpiperidin-1-yl]-methylborinic acid Traditional Name: [4-(4-but-2-ynoxyphenyl)sulfonyl-4-carbomethoxy-piperidino]-methyl-borinic acid Formula: C18H24BNO6S MolecularWeight: 393.26226

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H24BNO6S/c1-4-5-14-26-15-6-8-16(9-7-15)27(23,24)18(17(21)25-3)10-12-20(13-11-18)19(2)22/h6-9,22H,10-14H2,1-3H3