4-methyl-3-pyrimidin-2-ylazanidylsulfonyl-benzoate

Systemtic Name: 4-methyl-3-pyrimidin-2-ylazanidylsulfonyl-benzoate Openeye Name: 4-methyl-3-pyrimidin-2-ylazanidylsulfonyl-benzoate CAS Name: 4-methyl-3-(2-pyrimidinylazanidylsulfonyl)benzoate IUPAC Name: 4-methyl-3-pyrimidin-2-ylazanidylsulfonylbenzoate Traditional Name: 4-methyl-3-(2-pyrimidylazanidylsulfonyl)benzoate Formula: C12H9N3O4S-2 MolecularWeight: 291.28256

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)[O-])S(=O)(=O)[N-]C2=NC=CC=N2

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)[O-])S(=O)(=O)[N-]C2=NC=CC=N2

InChI

InChI=1S/C12H11N3O4S/c1-8-3-4-9(11(16)17)7-10(8)20(18,19)15-12-13-5-2-6-14-12/h2-7H,1H3,(H2,13,14,15,16,17)/p-2