(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl 4-pyrrolidin-1-ylsulfonylbenzoate

Systemtic Name: (3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl 4-pyrrolidin-1-ylsulfonylbenzoate Openeye Name: [3-(2-thienyl)-1,2,4-oxadiazol-5-yl]methyl 4-pyrrolidin-1-ylsulfonylbenzoate CAS Name: 4-(1-pyrrolidinylsulfonyl)benzoic acid (3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl ester IUPAC Name: (3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl 4-pyrrolidin-1-ylsulfonylbenzoate Traditional Name: 4-pyrrolidinosulfonylbenzoic acid [3-(2-thienyl)-1,2,4-oxadiazol-5-yl]methyl ester Formula: C18H17N3O5S2 MolecularWeight: 419.47468

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)OCC3=NC(=NO3)C4=CC=CS4

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)OCC3=NC(=NO3)C4=CC=CS4

InChI

InChI=1S/C18H17N3O5S2/c22-18(25-12-16-19-17(20-26-16)15-4-3-11-27-15)13-5-7-14(8-6-13)28(23,24)21-9-1-2-10-21/h3-8,11H,1-2,9-10,12H2