[4-[[3-nitro-4-(2-phenylsulfanylethylamino)phenyl]sulfonylcarbamoyl]phenyl]boron

Systemtic Name: [4-[[3-nitro-4-(2-phenylsulfanylethylamino)phenyl]sulfonylcarbamoyl]phenyl]boron Openeye Name: [4-[[3-nitro-4-(2-phenylsulfanylethylamino)phenyl]sulfonylcarbamoyl]phenyl]boron CAS Name: [4-[[[3-nitro-4-[2-(phenylthio)ethylamino]phenyl]sulfonylamino]-oxomethyl]phenyl]boron IUPAC Name: [4-[[3-nitro-4-(2-phenylsulfanylethylamino)phenyl]sulfonylcarbamoyl]phenyl]boron Traditional Name: [4-[[3-nitro-4-[2-(phenylthio)ethylamino]phenyl]sulfonylcarbamoyl]phenyl]boron Formula: C21H18BN3O5S2 MolecularWeight: 467.32572

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Descriptors Computed from Structure

Canonical SMILES:

[B]C1=CC=C(C=C1)C(=O)NS(=O)(=O)C2=CC(=C(C=C2)NCCSC3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

[B]C1=CC=C(C=C1)C(=O)NS(=O)(=O)C2=CC(=C(C=C2)NCCSC3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H18BN3O5S2/c22-16-8-6-15(7-9-16)21(26)24-32(29,30)18-10-11-19(20(14-18)25(27)28)23-12-13-31-17-4-2-1-3-5-17/h1-11,14,23H,12-13H2,(H,24,26)