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

Systemtic Name: (3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl 3-(azepan-1-ylsulfonyl)benzoate Openeye Name: [3-(3-thienyl)-1,2,4-oxadiazol-5-yl]methyl 3-(azepan-1-ylsulfonyl)benzoate CAS Name: 3-(1-azepanylsulfonyl)benzoic acid [3-(3-thiophenyl)-1,2,4-oxadiazol-5-yl]methyl ester IUPAC Name: (3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl 3-(azepan-1-ylsulfonyl)benzoate Traditional Name: 3-(azepan-1-ylsulfonyl)benzoic acid [3-(3-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=CSC=C4

Isomeric SMILES

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

InChI

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