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

Systemtic Name: 5-[[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]methyl]-3-propan-2-yl-1,2,4-oxadiazole Openeye Name: 3-isopropyl-5-[[4-(p-tolylsulfonyl)-1,4-diazepan-1-yl]methyl]-1,2,4-oxadiazole CAS Name: 5-[[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]methyl]-3-propan-2-yl-1,2,4-oxadiazole IUPAC Name: 5-[[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]methyl]-3-propan-2-yl-1,2,4-oxadiazole Traditional Name: 3-isopropyl-5-[(4-tosyl-1,4-diazepan-1-yl)methyl]-1,2,4-oxadiazole Formula: C18H26N4O3S MolecularWeight: 378.48904

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H26N4O3S/c1-14(2)18-19-17(25-20-18)13-21-9-4-10-22(12-11-21)26(23,24)16-7-5-15(3)6-8-16/h5-8,14H,4,9-13H2,1-3H3