[4-(ethylperoxymethyl)-4-(4-phenoxyphenyl)sulfonyl-piperidin-1-yl]-methyl-borinic acid

Systemtic Name: [4-(ethylperoxymethyl)-4-(4-phenoxyphenyl)sulfonyl-piperidin-1-yl]-methyl-borinic acid Openeye Name: [4-(ethylperoxymethyl)-4-(4-phenoxyphenyl)sulfonyl-1-piperidyl]-methyl-borinic acid CAS Name: [4-(ethyldioxymethyl)-4-(4-phenoxyphenyl)sulfonyl-1-piperidinyl]-methylborinic acid IUPAC Name: [4-(ethylperoxymethyl)-4-(4-phenoxyphenyl)sulfonylpiperidin-1-yl]-methylborinic acid Traditional Name: [4-(ethylperoxymethyl)-4-(4-phenoxyphenyl)sulfonyl-piperidino]-methyl-borinic acid Formula: C21H28BNO6S MolecularWeight: 433.32612

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Descriptors Computed from Structure

Canonical SMILES:

B(C)(N1CCC(CC1)(COOCC)S(=O)(=O)C2=CC=C(C=C2)OC3=CC=CC=C3)O

Isomeric SMILES

B(C)(N1CCC(CC1)(COOCC)S(=O)(=O)C2=CC=C(C=C2)OC3=CC=CC=C3)O

InChI

InChI=1S/C21H28BNO6S/c1-3-27-28-17-21(13-15-23(16-14-21)22(2)24)30(25,26)20-11-9-19(10-12-20)29-18-7-5-4-6-8-18/h4-12,24H,3,13-17H2,1-2H3