2-[[5-[4-(azepan-1-ylsulfonyl)phenyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-1-phenyl-ethanone

Systemtic Name: 2-[[5-[4-(azepan-1-ylsulfonyl)phenyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-1-phenyl-ethanone Openeye Name: 2-[[5-[4-(azepan-1-ylsulfonyl)phenyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-1-phenyl-ethanone CAS Name: 2-[[5-[4-(1-azepanylsulfonyl)phenyl]-1,3,4-oxadiazol-2-yl]thio]-1-phenylethanone IUPAC Name: 2-[[5-[4-(azepan-1-ylsulfonyl)phenyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-1-phenylethanone Traditional Name: 2-[[5-[4-(azepan-1-ylsulfonyl)phenyl]-1,3,4-oxadiazol-2-yl]thio]-1-phenyl-ethanone Formula: C22H23N3O4S2 MolecularWeight: 457.56572

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C3=NN=C(O3)SCC(=O)C4=CC=CC=C4

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C3=NN=C(O3)SCC(=O)C4=CC=CC=C4

InChI

InChI=1S/C22H23N3O4S2/c26-20(17-8-4-3-5-9-17)16-30-22-24-23-21(29-22)18-10-12-19(13-11-18)31(27,28)25-14-6-1-2-7-15-25/h3-5,8-13H,1-2,6-7,14-16H2