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

Systemtic Name: (5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl 4-chloranyl-3-pyrrolidin-1-ylsulfonyl-benzoate Openeye Name: [5-(2-thienyl)-1,3,4-oxadiazol-2-yl]methyl 4-chloro-3-pyrrolidin-1-ylsulfonyl-benzoate CAS Name: 4-chloro-3-(1-pyrrolidinylsulfonyl)benzoic acid (5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl ester IUPAC Name: (5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl 4-chloro-3-pyrrolidin-1-ylsulfonylbenzoate Traditional Name: 4-chloro-3-pyrrolidinosulfonyl-benzoic acid [5-(2-thienyl)-1,3,4-oxadiazol-2-yl]methyl ester Formula: C18H16ClN3O5S2 MolecularWeight: 453.91974

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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=CS4)Cl

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)OCC3=NN=C(O3)C4=CC=CS4)Cl

InChI

InChI=1S/C18H16ClN3O5S2/c19-13-6-5-12(10-15(13)29(24,25)22-7-1-2-8-22)18(23)26-11-16-20-21-17(27-16)14-4-3-9-28-14/h3-6,9-10H,1-2,7-8,11H2