(5-phenyl-1,3,4-oxadiazol-2-yl)methyl 4-chloranyl-3-pyrrolidin-1-ylsulfonyl-benzoate

Systemtic Name: (5-phenyl-1,3,4-oxadiazol-2-yl)methyl 4-chloranyl-3-pyrrolidin-1-ylsulfonyl-benzoate Openeye Name: (5-phenyl-1,3,4-oxadiazol-2-yl)methyl 4-chloro-3-pyrrolidin-1-ylsulfonyl-benzoate CAS Name: 4-chloro-3-(1-pyrrolidinylsulfonyl)benzoic acid (5-phenyl-1,3,4-oxadiazol-2-yl)methyl ester IUPAC Name: (5-phenyl-1,3,4-oxadiazol-2-yl)methyl 4-chloro-3-pyrrolidin-1-ylsulfonylbenzoate Traditional Name: 4-chloro-3-pyrrolidinosulfonyl-benzoic acid (5-phenyl-1,3,4-oxadiazol-2-yl)methyl ester Formula: C20H18ClN3O5S MolecularWeight: 447.89202

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)OCC3=NN=C(O3)C4=CC=CC=C4)Cl

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)OCC3=NN=C(O3)C4=CC=CC=C4)Cl

InChI

InChI=1S/C20H18ClN3O5S/c21-16-9-8-15(12-17(16)30(26,27)24-10-4-5-11-24)20(25)28-13-18-22-23-19(29-18)14-6-2-1-3-7-14/h1-3,6-9,12H,4-5,10-11,13H2