(E)-3-(4-pyrimidin-2-ylazanidylsulfonylphenyl)prop-2-enoate

Systemtic Name: (E)-3-(4-pyrimidin-2-ylazanidylsulfonylphenyl)prop-2-enoate Openeye Name: (E)-3-(4-pyrimidin-2-ylazanidylsulfonylphenyl)prop-2-enoate CAS Name: (E)-3-[4-(2-pyrimidinylazanidylsulfonyl)phenyl]-2-propenoate IUPAC Name: (E)-3-(4-pyrimidin-2-ylazanidylsulfonylphenyl)prop-2-enoate Traditional Name: (E)-3-[4-(2-pyrimidylazanidylsulfonyl)phenyl]acrylate Formula: C13H9N3O4S-2 MolecularWeight: 303.29326

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Descriptors Computed from Structure

Canonical SMILES:

C1=CN=C(N=C1)[N-]S(=O)(=O)C2=CC=C(C=C2)C=CC(=O)[O-]

Isomeric SMILES

C1=CN=C(N=C1)[N-]S(=O)(=O)C2=CC=C(C=C2)/C=C/C(=O)[O-]

InChI

InChI=1S/C13H11N3O4S/c17-12(18)7-4-10-2-5-11(6-3-10)21(19,20)16-13-14-8-1-9-15-13/h1-9H,(H2,14,15,16,17,18)/p-2/b7-4+