1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl 3-(azepan-1-ylsulfonyl)-4-methoxy-benzoate

Systemtic Name: 1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl 3-(azepan-1-ylsulfonyl)-4-methoxy-benzoate Openeye Name: 1-[5-(2-thienyl)-1,3,4-oxadiazol-2-yl]ethyl 3-(azepan-1-ylsulfonyl)-4-methoxy-benzoate CAS Name: 3-(1-azepanylsulfonyl)-4-methoxybenzoic acid 1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl ester IUPAC Name: 1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl 3-(azepan-1-ylsulfonyl)-4-methoxybenzoate Traditional Name: 3-(azepan-1-ylsulfonyl)-4-methoxy-benzoic acid 1-[5-(2-thienyl)-1,3,4-oxadiazol-2-yl]ethyl ester Formula: C22H25N3O6S2 MolecularWeight: 491.5804

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=NN=C(O1)C2=CC=CS2)OC(=O)C3=CC(=C(C=C3)OC)S(=O)(=O)N4CCCCCC4

Isomeric SMILES

CC(C1=NN=C(O1)C2=CC=CS2)OC(=O)C3=CC(=C(C=C3)OC)S(=O)(=O)N4CCCCCC4

InChI

InChI=1S/C22H25N3O6S2/c1-15(20-23-24-21(31-20)18-8-7-13-32-18)30-22(26)16-9-10-17(29-2)19(14-16)33(27,28)25-11-5-3-4-6-12-25/h7-10,13-15H,3-6,11-12H2,1-2H3