(isoquinolin-5-ylsulfonylamino)methyl-(4-nitrophenoxy)phosphinic acid

Systemtic Name: (isoquinolin-5-ylsulfonylamino)methyl-(4-nitrophenoxy)phosphinic acid Openeye Name: (5-isoquinolylsulfonylamino)methyl-(4-nitrophenoxy)phosphinic acid CAS Name: (5-isoquinolinylsulfonylamino)methyl-(4-nitrophenoxy)phosphinic acid IUPAC Name: (isoquinolin-5-ylsulfonylamino)methyl-(4-nitrophenoxy)phosphinic acid Traditional Name: (5-isoquinolylsulfonylamino)methyl-(4-nitrophenoxy)phosphinic acid Formula: C16H14N3O7PS MolecularWeight: 423.337021

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=CN=C2)C(=C1)S(=O)(=O)NCP(=O)(O)OC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1=CC2=C(C=CN=C2)C(=C1)S(=O)(=O)NCP(=O)(O)OC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C16H14N3O7PS/c20-19(21)13-4-6-14(7-5-13)26-27(22,23)11-18-28(24,25)16-3-1-2-12-10-17-9-8-15(12)16/h1-10,18H,11H2,(H,22,23)