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

Systemtic Name: 3-tert-butyl-5-[1-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]ethyl]-1,2,4-oxadiazole Openeye Name: 3-tert-butyl-5-[1-[4-(p-tolylsulfonyl)-1,4-diazepan-1-yl]ethyl]-1,2,4-oxadiazole CAS Name: 3-tert-butyl-5-[1-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]ethyl]-1,2,4-oxadiazole IUPAC Name: 3-tert-butyl-5-[1-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]ethyl]-1,2,4-oxadiazole Traditional Name: 3-tert-butyl-5-[1-(4-tosyl-1,4-diazepan-1-yl)ethyl]-1,2,4-oxadiazole Formula: C20H30N4O3S MolecularWeight: 406.5422

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCCN(CC2)C(C)C3=NC(=NO3)C(C)(C)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCCN(CC2)C(C)C3=NC(=NO3)C(C)(C)C

InChI

InChI=1S/C20H30N4O3S/c1-15-7-9-17(10-8-15)28(25,26)24-12-6-11-23(13-14-24)16(2)18-21-19(22-27-18)20(3,4)5/h7-10,16H,6,11-14H2,1-5H3