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

Systemtic Name: (5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl 4-(azepan-1-ylsulfonyl)benzoate Openeye Name: [5-(2-thienyl)-1,3,4-oxadiazol-2-yl]methyl 4-(azepan-1-ylsulfonyl)benzoate CAS Name: 4-(1-azepanylsulfonyl)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-(azepan-1-ylsulfonyl)benzoate Traditional Name: 4-(azepan-1-ylsulfonyl)benzoic acid [5-(2-thienyl)-1,3,4-oxadiazol-2-yl]methyl ester Formula: C20H21N3O5S2 MolecularWeight: 447.52784

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)OCC3=NN=C(O3)C4=CC=CS4

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)OCC3=NN=C(O3)C4=CC=CS4

InChI

InChI=1S/C20H21N3O5S2/c24-20(27-14-18-21-22-19(28-18)17-6-5-13-29-17)15-7-9-16(10-8-15)30(25,26)23-11-3-1-2-4-12-23/h5-10,13H,1-4,11-12,14H2