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

Systemtic Name: 3-[3-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]-3-oxidanylidene-propyl]-5-thiophen-2-yl-1,3,4-oxadiazol-2-one Openeye Name: 3-[3-oxo-3-[4-(p-tolylsulfonyl)-1,4-diazepan-1-yl]propyl]-5-(2-thienyl)-1,3,4-oxadiazol-2-one CAS Name: 3-[3-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]-3-oxopropyl]-5-thiophen-2-yl-1,3,4-oxadiazol-2-one IUPAC Name: 3-[3-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]-3-oxopropyl]-5-thiophen-2-yl-1,3,4-oxadiazol-2-one Traditional Name: 3-[3-keto-3-(4-tosyl-1,4-diazepan-1-yl)propyl]-5-(2-thienyl)-1,3,4-oxadiazol-2-one Formula: C21H24N4O5S2 MolecularWeight: 476.56906

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCCN(CC2)C(=O)CCN3C(=O)OC(=N3)C4=CC=CS4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCCN(CC2)C(=O)CCN3C(=O)OC(=N3)C4=CC=CS4

InChI

InChI=1S/C21H24N4O5S2/c1-16-5-7-17(8-6-16)32(28,29)24-11-3-10-23(13-14-24)19(26)9-12-25-21(27)30-20(22-25)18-4-2-15-31-18/h2,4-8,15H,3,9-14H2,1H3