5-[[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]methyl]-3-thiophen-3-yl-1,2,4-oxadiazole

Systemtic Name: 5-[[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]methyl]-3-thiophen-3-yl-1,2,4-oxadiazole Openeye Name: 5-[[4-(p-tolylsulfonyl)-1,4-diazepan-1-yl]methyl]-3-(3-thienyl)-1,2,4-oxadiazole CAS Name: 5-[[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]methyl]-3-(3-thiophenyl)-1,2,4-oxadiazole IUPAC Name: 5-[[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]methyl]-3-thiophen-3-yl-1,2,4-oxadiazole Traditional Name: 3-(3-thienyl)-5-[(4-tosyl-1,4-diazepan-1-yl)methyl]-1,2,4-oxadiazole Formula: C19H22N4O3S2 MolecularWeight: 418.53298

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCCN(CC2)CC3=NC(=NO3)C4=CSC=C4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCCN(CC2)CC3=NC(=NO3)C4=CSC=C4

InChI

InChI=1S/C19H22N4O3S2/c1-15-3-5-17(6-4-15)28(24,25)23-9-2-8-22(10-11-23)13-18-20-19(21-26-18)16-7-12-27-14-16/h3-7,12,14H,2,8-11,13H2,1H3