5-(2-methylsulfonylpyrimidin-4-yl)thiophene-2-sulfonic acid

Systemtic Name: 5-(2-methylsulfonylpyrimidin-4-yl)thiophene-2-sulfonic acid Openeye Name: 5-(2-methylsulfonylpyrimidin-4-yl)thiophene-2-sulfonic acid CAS Name: 5-(2-methylsulfonyl-4-pyrimidinyl)-2-thiophenesulfonic acid IUPAC Name: 5-(2-methylsulfonylpyrimidin-4-yl)thiophene-2-sulfonic acid Traditional Name: 5-(2-mesylpyrimidin-4-yl)thiophene-2-sulfonic acid Formula: C9H8N2O5S3 MolecularWeight: 320.36522

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=NC=CC(=N1)C2=CC=C(S2)S(=O)(=O)O

Isomeric SMILES

CS(=O)(=O)C1=NC=CC(=N1)C2=CC=C(S2)S(=O)(=O)O

InChI

InChI=1S/C9H8N2O5S3/c1-18(12,13)9-10-5-4-6(11-9)7-2-3-8(17-7)19(14,15)16/h2-5H,1H3,(H,14,15,16)