(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl 3-[4-(azepan-1-ylsulfonyl)phenyl]propanoate

Systemtic Name: (3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl 3-[4-(azepan-1-ylsulfonyl)phenyl]propanoate Openeye Name: [3-(2-thienyl)-1,2,4-oxadiazol-5-yl]methyl 3-[4-(azepan-1-ylsulfonyl)phenyl]propanoate CAS Name: 3-[4-(1-azepanylsulfonyl)phenyl]propanoic 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 3-[4-(azepan-1-ylsulfonyl)phenyl]propanoate Traditional Name: 3-[4-(azepan-1-ylsulfonyl)phenyl]propionic acid [3-(2-thienyl)-1,2,4-oxadiazol-5-yl]methyl ester Formula: C22H25N3O5S2 MolecularWeight: 475.581

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)CCC(=O)OCC3=NC(=NO3)C4=CC=CS4

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)CCC(=O)OCC3=NC(=NO3)C4=CC=CS4

InChI

InChI=1S/C22H25N3O5S2/c26-21(29-16-20-23-22(24-30-20)19-6-5-15-31-19)12-9-17-7-10-18(11-8-17)32(27,28)25-13-3-1-2-4-14-25/h5-8,10-11,15H,1-4,9,12-14,16H2