[[5-[2-[(6-cyanopyridin-3-yl)amino]ethoxy]-1-benzothiophen-2-yl]sulfonylamino]methylphosphonic acid

Systemtic Name: [[5-[2-[(6-cyanopyridin-3-yl)amino]ethoxy]-1-benzothiophen-2-yl]sulfonylamino]methylphosphonic acid Openeye Name: [[5-[2-[(6-cyano-3-pyridyl)amino]ethoxy]benzothiophen-2-yl]sulfonylamino]methylphosphonic acid CAS Name: [[5-[2-[(6-cyano-3-pyridinyl)amino]ethoxy]-1-benzothiophen-2-yl]sulfonylamino]methylphosphonic acid IUPAC Name: [[5-[2-[(6-cyanopyridin-3-yl)amino]ethoxy]-1-benzothiophen-2-yl]sulfonylamino]methylphosphonic acid Traditional Name: [[5-[2-[(6-cyano-3-pyridyl)amino]ethoxy]benzothiophen-2-yl]sulfonylamino]methylphosphonic acid Formula: C17H17N4O6PS2 MolecularWeight: 468.443841

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1OCCNC3=CN=C(C=C3)C#N)C=C(S2)S(=O)(=O)NCP(=O)(O)O

Isomeric SMILES

C1=CC2=C(C=C1OCCNC3=CN=C(C=C3)C#N)C=C(S2)S(=O)(=O)NCP(=O)(O)O

InChI

InChI=1S/C17H17N4O6PS2/c18-9-13-1-2-14(10-20-13)19-5-6-27-15-3-4-16-12(7-15)8-17(29-16)30(25,26)21-11-28(22,23)24/h1-4,7-8,10,19,21H,5-6,11H2,(H2,22,23,24)