3-[2-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]-2-oxidanylidene-ethyl]-5-phenyl-1,3,4-oxadiazol-2-one

Systemtic Name: 3-[2-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]-2-oxidanylidene-ethyl]-5-phenyl-1,3,4-oxadiazol-2-one Openeye Name: 3-[2-oxo-2-[4-(p-tolylsulfonyl)-1,4-diazepan-1-yl]ethyl]-5-phenyl-1,3,4-oxadiazol-2-one CAS Name: 3-[2-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]-2-oxoethyl]-5-phenyl-1,3,4-oxadiazol-2-one IUPAC Name: 3-[2-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]-2-oxoethyl]-5-phenyl-1,3,4-oxadiazol-2-one Traditional Name: 3-[2-keto-2-(4-tosyl-1,4-diazepan-1-yl)ethyl]-5-phenyl-1,3,4-oxadiazol-2-one Formula: C22H24N4O5S MolecularWeight: 456.51476

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCCN(CC2)C(=O)CN3C(=O)OC(=N3)C4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCCN(CC2)C(=O)CN3C(=O)OC(=N3)C4=CC=CC=C4

InChI

InChI=1S/C22H24N4O5S/c1-17-8-10-19(11-9-17)32(29,30)25-13-5-12-24(14-15-25)20(27)16-26-22(28)31-21(23-26)18-6-3-2-4-7-18/h2-4,6-11H,5,12-16H2,1H3