[4-[3-(methylsulfonylamino)-2-oxidanylidene-4-phenylmethoxycarbonyl-piperazin-1-yl]phenyl]boron

Systemtic Name: [4-[3-(methylsulfonylamino)-2-oxidanylidene-4-phenylmethoxycarbonyl-piperazin-1-yl]phenyl]boron Openeye Name: [4-[4-benzyloxycarbonyl-3-(methanesulfonamido)-2-oxo-piperazin-1-yl]phenyl]boron CAS Name: [4-[3-(methanesulfonamido)-2-oxo-4-phenylmethoxycarbonyl-1-piperazinyl]phenyl]boron IUPAC Name: [4-[3-(methanesulfonamido)-2-oxo-4-phenylmethoxycarbonylpiperazin-1-yl]phenyl]boron Traditional Name: [4-[4-carbobenzoxy-2-keto-3-(methanesulfonamido)piperazino]phenyl]boron Formula: C19H20BN3O5S MolecularWeight: 413.2552

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Descriptors Computed from Structure

Canonical SMILES:

[B]C1=CC=C(C=C1)N2CCN(C(C2=O)NS(=O)(=O)C)C(=O)OCC3=CC=CC=C3

Isomeric SMILES

[B]C1=CC=C(C=C1)N2CCN(C(C2=O)NS(=O)(=O)C)C(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C19H20BN3O5S/c1-29(26,27)21-17-18(24)22(16-9-7-15(20)8-10-16)11-12-23(17)19(25)28-13-14-5-3-2-4-6-14/h2-10,17,21H,11-13H2,1H3