[4-[(2-methylpropan-2-yl)oxycarbonyl]-1-phenylmethoxycarbonyl-piperazin-2-yl]methoxysulfanylboron

Systemtic Name: [4-[(2-methylpropan-2-yl)oxycarbonyl]-1-phenylmethoxycarbonyl-piperazin-2-yl]methoxysulfanylboron Openeye Name: (1-benzyloxycarbonyl-4-tert-butoxycarbonyl-piperazin-2-yl)methoxysulfanylboron CAS Name: [[4-[(2-methylpropan-2-yl)oxy-oxomethyl]-1-phenylmethoxycarbonyl-2-piperazinyl]methoxythio]boron IUPAC Name: [4-[(2-methylpropan-2-yl)oxycarbonyl]-1-phenylmethoxycarbonylpiperazin-2-yl]methoxysulfanylboron Traditional Name: [(4-tert-butoxycarbonyl-1-carbobenzoxy-piperazin-2-yl)methoxythio]boron Formula: C18H25BN2O5S MolecularWeight: 392.2775

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Descriptors Computed from Structure

Canonical SMILES:

[B]SOCC1CN(CCN1C(=O)OCC2=CC=CC=C2)C(=O)OC(C)(C)C

Isomeric SMILES

[B]SOCC1CN(CCN1C(=O)OCC2=CC=CC=C2)C(=O)OC(C)(C)C

InChI

InChI=1S/C18H25BN2O5S/c1-18(2,3)26-16(22)20-9-10-21(15(11-20)13-25-27-19)17(23)24-12-14-7-5-4-6-8-14/h4-8,15H,9-13H2,1-3H3