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

Systemtic Name: (5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methyl 4-chloranyl-3-pyrrolidin-1-ylsulfonyl-benzoate Openeye Name: [5-(3-thienyl)-1,2,4-oxadiazol-3-yl]methyl 4-chloro-3-pyrrolidin-1-ylsulfonyl-benzoate CAS Name: 4-chloro-3-(1-pyrrolidinylsulfonyl)benzoic acid [5-(3-thiophenyl)-1,2,4-oxadiazol-3-yl]methyl ester IUPAC Name: (5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methyl 4-chloro-3-pyrrolidin-1-ylsulfonylbenzoate Traditional Name: 4-chloro-3-pyrrolidinosulfonyl-benzoic acid [5-(3-thienyl)-1,2,4-oxadiazol-3-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=NOC(=N3)C4=CSC=C4)Cl

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)OCC3=NOC(=N3)C4=CSC=C4)Cl

InChI

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