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

Systemtic Name: (5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methyl 4-(azepan-1-ylsulfonyl)benzoate Openeye Name: [5-(3-thienyl)-1,2,4-oxadiazol-3-yl]methyl 4-(azepan-1-ylsulfonyl)benzoate CAS Name: 4-(1-azepanylsulfonyl)benzoic acid [5-(3-thiophenyl)-1,2,4-oxadiazol-3-yl]methyl ester IUPAC Name: (5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methyl 4-(azepan-1-ylsulfonyl)benzoate Traditional Name: 4-(azepan-1-ylsulfonyl)benzoic acid [5-(3-thienyl)-1,2,4-oxadiazol-3-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=NOC(=N3)C4=CSC=C4

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)OCC3=NOC(=N3)C4=CSC=C4

InChI

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