phenyl 3-fluoranyl-4-propan-2-ylsulfonyl-pyrrole-1-sulfonate

Systemtic Name: phenyl 3-fluoranyl-4-propan-2-ylsulfonyl-pyrrole-1-sulfonate Openeye Name: phenyl 3-fluoro-4-isopropylsulfonyl-pyrrole-1-sulfonate CAS Name: 3-fluoro-4-propan-2-ylsulfonyl-1-pyrrolesulfonic acid phenyl ester IUPAC Name: phenyl 3-fluoro-4-propan-2-ylsulfonylpyrrole-1-sulfonate Traditional Name: 3-fluoro-4-isopropylsulfonyl-pyrrole-1-sulfonic acid phenyl ester Formula: C13H14FNO5S2 MolecularWeight: 347.382363

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)S(=O)(=O)C1=CN(C=C1F)S(=O)(=O)OC2=CC=CC=C2

Isomeric SMILES

CC(C)S(=O)(=O)C1=CN(C=C1F)S(=O)(=O)OC2=CC=CC=C2

InChI

InChI=1S/C13H14FNO5S2/c1-10(2)21(16,17)13-9-15(8-12(13)14)22(18,19)20-11-6-4-3-5-7-11/h3-10H,1-2H3