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

Systemtic Name: (3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl 3-(azepan-1-ylsulfonyl)benzoate Openeye Name: [3-(2-thienyl)-1,2,4-oxadiazol-5-yl]methyl 3-(azepan-1-ylsulfonyl)benzoate CAS Name: 3-(1-azepanylsulfonyl)benzoic 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-(azepan-1-ylsulfonyl)benzoate Traditional Name: 3-(azepan-1-ylsulfonyl)benzoic acid [3-(2-thienyl)-1,2,4-oxadiazol-5-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=CC(=C2)C(=O)OCC3=NC(=NO3)C4=CC=CS4

Isomeric SMILES

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

InChI

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