3-[[4-[(4-methylsulfonylphenyl)methyl]-1,4-diazepan-1-yl]methyl]-5-phenyl-1,2,4-oxadiazole

Systemtic Name: 3-[[4-[(4-methylsulfonylphenyl)methyl]-1,4-diazepan-1-yl]methyl]-5-phenyl-1,2,4-oxadiazole Openeye Name: 3-[[4-[(4-methylsulfonylphenyl)methyl]-1,4-diazepan-1-yl]methyl]-5-phenyl-1,2,4-oxadiazole CAS Name: 3-[[4-[(4-methylsulfonylphenyl)methyl]-1,4-diazepan-1-yl]methyl]-5-phenyl-1,2,4-oxadiazole IUPAC Name: 3-[[4-[(4-methylsulfonylphenyl)methyl]-1,4-diazepan-1-yl]methyl]-5-phenyl-1,2,4-oxadiazole Traditional Name: 3-[[4-(4-mesylbenzyl)-1,4-diazepan-1-yl]methyl]-5-phenyl-1,2,4-oxadiazole Formula: C22H26N4O3S MolecularWeight: 426.53184

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=C(C=C1)CN2CCCN(CC2)CC3=NOC(=N3)C4=CC=CC=C4

Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)CN2CCCN(CC2)CC3=NOC(=N3)C4=CC=CC=C4

InChI

InChI=1S/C22H26N4O3S/c1-30(27,28)20-10-8-18(9-11-20)16-25-12-5-13-26(15-14-25)17-21-23-22(29-24-21)19-6-3-2-4-7-19/h2-4,6-11H,5,12-17H2,1H3