2-[3-oxidanylidene-6-(6-pyrazol-1-ylpyridin-3-yl)azanidylsulfonyl-1,4-benzoxazin-4-yl]ethanoate

Systemtic Name: 2-[3-oxidanylidene-6-(6-pyrazol-1-ylpyridin-3-yl)azanidylsulfonyl-1,4-benzoxazin-4-yl]ethanoate Openeye Name: 2-[3-oxo-6-[(6-pyrazol-1-yl-3-pyridyl)azanidylsulfonyl]-1,4-benzoxazin-4-yl]acetate CAS Name: 2-[3-oxo-6-[[6-(1-pyrazolyl)-3-pyridinyl]azanidylsulfonyl]-1,4-benzoxazin-4-yl]acetate IUPAC Name: 2-[3-oxo-6-(6-pyrazol-1-ylpyridin-3-yl)azanidylsulfonyl-1,4-benzoxazin-4-yl]acetate Traditional Name: 2-[3-keto-6-[(6-pyrazol-1-yl-3-pyridyl)azanidylsulfonyl]-1,4-benzoxazin-4-yl]acetate Formula: C18H13N5O6S-2 MolecularWeight: 427.39072

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C(=O)N(C2=C(O1)C=CC(=C2)S(=O)(=O)[N-]C3=CN=C(C=C3)N4C=CC=N4)CC(=O)[O-]

Isomeric SMILES

C1C(=O)N(C2=C(O1)C=CC(=C2)S(=O)(=O)[N-]C3=CN=C(C=C3)N4C=CC=N4)CC(=O)[O-]

InChI

InChI=1S/C18H14N5O6S/c24-17-11-29-15-4-3-13(8-14(15)22(17)10-18(25)26)30(27,28)21-12-2-5-16(19-9-12)23-7-1-6-20-23/h1-9H,10-11H2,(H,25,26)/q-1/p-1