(1-cyanoindolizin-2-yl)methyl 2-chloranyl-5-pyrrolidin-1-ylsulfonyl-benzoate

Systemtic Name: (1-cyanoindolizin-2-yl)methyl 2-chloranyl-5-pyrrolidin-1-ylsulfonyl-benzoate Openeye Name: (1-cyanoindolizin-2-yl)methyl 2-chloro-5-pyrrolidin-1-ylsulfonyl-benzoate CAS Name: 2-chloro-5-(1-pyrrolidinylsulfonyl)benzoic acid (1-cyano-2-indolizinyl)methyl ester IUPAC Name: (1-cyanoindolizin-2-yl)methyl 2-chloro-5-pyrrolidin-1-ylsulfonylbenzoate Traditional Name: 2-chloro-5-pyrrolidinosulfonyl-benzoic acid (1-cyanoindolizin-2-yl)methyl ester Formula: C21H18ClN3O4S MolecularWeight: 443.90332

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC(=C(C=C2)Cl)C(=O)OCC3=CN4C=CC=CC4=C3C#N

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC(=C(C=C2)Cl)C(=O)OCC3=CN4C=CC=CC4=C3C#N

InChI

InChI=1S/C21H18ClN3O4S/c22-19-7-6-16(30(27,28)25-9-3-4-10-25)11-17(19)21(26)29-14-15-13-24-8-2-1-5-20(24)18(15)12-23/h1-2,5-8,11,13H,3-4,9-10,14H2