1-(azepan-1-yl)-2-[[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]sulfonyl]ethanone

Systemtic Name: 1-(azepan-1-yl)-2-[[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]sulfonyl]ethanone Openeye Name: 1-(azepan-1-yl)-2-[[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]sulfonyl]ethanone CAS Name: 1-(1-azepanyl)-2-[[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]sulfonyl]ethanone IUPAC Name: 1-(azepan-1-yl)-2-[[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]sulfonyl]ethanone Traditional Name: 1-(azepan-1-yl)-2-[[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]sulfonyl]ethanone Formula: C20H27N3O4S MolecularWeight: 405.51108

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C2=NN=C(O2)S(=O)(=O)CC(=O)N3CCCCCC3

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C2=NN=C(O2)S(=O)(=O)CC(=O)N3CCCCCC3

InChI

InChI=1S/C20H27N3O4S/c1-20(2,3)16-10-8-15(9-11-16)18-21-22-19(27-18)28(25,26)14-17(24)23-12-6-4-5-7-13-23/h8-11H,4-7,12-14H2,1-3H3