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

Systemtic Name: 5-tert-butyl-3-[[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]methyl]-1,2,4-oxadiazole Openeye Name: 5-tert-butyl-3-[[4-(p-tolylsulfonyl)-1,4-diazepan-1-yl]methyl]-1,2,4-oxadiazole CAS Name: 5-tert-butyl-3-[[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]methyl]-1,2,4-oxadiazole IUPAC Name: 5-tert-butyl-3-[[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]methyl]-1,2,4-oxadiazole Traditional Name: 5-tert-butyl-3-[(4-tosyl-1,4-diazepan-1-yl)methyl]-1,2,4-oxadiazole Formula: C19H28N4O3S MolecularWeight: 392.51562

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCCN(CC2)CC3=NOC(=N3)C(C)(C)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCCN(CC2)CC3=NOC(=N3)C(C)(C)C

InChI

InChI=1S/C19H28N4O3S/c1-15-6-8-16(9-7-15)27(24,25)23-11-5-10-22(12-13-23)14-17-20-18(26-21-17)19(2,3)4/h6-9H,5,10-14H2,1-4H3