phenyl 3-fluoranyl-4-(phenylmethyl)pyrrole-1-sulfonate

Systemtic Name: phenyl 3-fluoranyl-4-(phenylmethyl)pyrrole-1-sulfonate Openeye Name: phenyl 3-benzyl-4-fluoro-pyrrole-1-sulfonate CAS Name: 3-fluoro-4-(phenylmethyl)-1-pyrrolesulfonic acid phenyl ester IUPAC Name: phenyl 3-benzyl-4-fluoropyrrole-1-sulfonate Traditional Name: 3-benzyl-4-fluoro-pyrrole-1-sulfonic acid phenyl ester Formula: C17H14FNO3S MolecularWeight: 331.361363

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC2=CN(C=C2F)S(=O)(=O)OC3=CC=CC=C3

Isomeric SMILES

C1=CC=C(C=C1)CC2=CN(C=C2F)S(=O)(=O)OC3=CC=CC=C3

InChI

InChI=1S/C17H14FNO3S/c18-17-13-19(12-15(17)11-14-7-3-1-4-8-14)23(20,21)22-16-9-5-2-6-10-16/h1-10,12-13H,11H2