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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)S(=O)(=O)N1C=C(C(=C1)S(=O)(=O)OC2=CC=CC=C2)F

Isomeric SMILES

CC(C)S(=O)(=O)N1C=C(C(=C1)S(=O)(=O)OC2=CC=CC=C2)F

InChI

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