2-[[2-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrrolidin-1-yl]sulfonylmethyl]benzoic acid

Systemtic Name: 2-[[2-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrrolidin-1-yl]sulfonylmethyl]benzoic acid Openeye Name: 2-[[2-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrrolidin-1-yl]sulfonylmethyl]benzoic acid CAS Name: 2-[[2-(5-phenyl-1,3,4-oxadiazol-2-yl)-1-pyrrolidinyl]sulfonylmethyl]benzoic acid IUPAC Name: 2-[[2-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrrolidin-1-yl]sulfonylmethyl]benzoic acid Traditional Name: 2-[[2-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrrolidino]sulfonylmethyl]benzoic acid Formula: C20H19N3O5S MolecularWeight: 413.44696

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)S(=O)(=O)CC2=CC=CC=C2C(=O)O)C3=NN=C(O3)C4=CC=CC=C4

Isomeric SMILES

C1CC(N(C1)S(=O)(=O)CC2=CC=CC=C2C(=O)O)C3=NN=C(O3)C4=CC=CC=C4

InChI

InChI=1S/C20H19N3O5S/c24-20(25)16-10-5-4-9-15(16)13-29(26,27)23-12-6-11-17(23)19-22-21-18(28-19)14-7-2-1-3-8-14/h1-5,7-10,17H,6,11-13H2,(H,24,25)