(5-cyano-2-fluoranyl-phenyl)methyl 4-pyrrolidin-1-ylsulfonyl-1H-pyrrole-2-carboxylate

Systemtic Name: (5-cyano-2-fluoranyl-phenyl)methyl 4-pyrrolidin-1-ylsulfonyl-1H-pyrrole-2-carboxylate Openeye Name: (5-cyano-2-fluoro-phenyl)methyl 4-pyrrolidin-1-ylsulfonyl-1H-pyrrole-2-carboxylate CAS Name: 4-(1-pyrrolidinylsulfonyl)-1H-pyrrole-2-carboxylic acid (5-cyano-2-fluorophenyl)methyl ester IUPAC Name: (5-cyano-2-fluorophenyl)methyl 4-pyrrolidin-1-ylsulfonyl-1H-pyrrole-2-carboxylate Traditional Name: 4-pyrrolidinosulfonyl-1H-pyrrole-2-carboxylic acid (5-cyano-2-fluoro-benzyl) ester Formula: C17H16FN3O4S MolecularWeight: 377.390043

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CNC(=C2)C(=O)OCC3=C(C=CC(=C3)C#N)F

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CNC(=C2)C(=O)OCC3=C(C=CC(=C3)C#N)F

InChI

InChI=1S/C17H16FN3O4S/c18-15-4-3-12(9-19)7-13(15)11-25-17(22)16-8-14(10-20-16)26(23,24)21-5-1-2-6-21/h3-4,7-8,10,20H,1-2,5-6,11H2