[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl 3-pyrrolidin-1-ylsulfonylbenzoate

Systemtic Name: [5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl 3-pyrrolidin-1-ylsulfonylbenzoate Openeye Name: [5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl 3-pyrrolidin-1-ylsulfonylbenzoate CAS Name: 3-(1-pyrrolidinylsulfonyl)benzoic acid [5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl ester IUPAC Name: [5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl 3-pyrrolidin-1-ylsulfonylbenzoate Traditional Name: 3-pyrrolidinosulfonylbenzoic acid [5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl ester Formula: C20H18BrN3O5S MolecularWeight: 492.34302

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC=CC(=C2)C(=O)OCC3=NN=C(O3)C4=CC=CC=C4Br

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC=CC(=C2)C(=O)OCC3=NN=C(O3)C4=CC=CC=C4Br

InChI

InChI=1S/C20H18BrN3O5S/c21-17-9-2-1-8-16(17)19-23-22-18(29-19)13-28-20(25)14-6-5-7-15(12-14)30(26,27)24-10-3-4-11-24/h1-2,5-9,12H,3-4,10-11,13H2