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

Systemtic Name: [4-ethoxycarbonyl-4-(4-phenoxyphenyl)sulfonyl-piperidin-1-yl]-methyl-borinic acid Openeye Name: [4-ethoxycarbonyl-4-(4-phenoxyphenyl)sulfonyl-1-piperidyl]-methyl-borinic acid CAS Name: [4-ethoxycarbonyl-4-(4-phenoxyphenyl)sulfonyl-1-piperidinyl]-methylborinic acid IUPAC Name: [4-ethoxycarbonyl-4-(4-phenoxyphenyl)sulfonylpiperidin-1-yl]-methylborinic acid Traditional Name: [4-carbethoxy-4-(4-phenoxyphenyl)sulfonyl-piperidino]-methyl-borinic acid Formula: C21H26BNO6S MolecularWeight: 431.31024

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26BNO6S/c1-3-28-20(24)21(13-15-23(16-14-21)22(2)25)30(26,27)19-11-9-18(10-12-19)29-17-7-5-4-6-8-17/h4-12,25H,3,13-16H2,1-2H3