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

Systemtic Name: 5-phenyl-3-[[4-(phenylmethyl)sulfonyl-1,4-diazepan-1-yl]methyl]-1,2,4-oxadiazole Openeye Name: 3-[(4-benzylsulfonyl-1,4-diazepan-1-yl)methyl]-5-phenyl-1,2,4-oxadiazole CAS Name: 5-phenyl-3-[[4-(phenylmethyl)sulfonyl-1,4-diazepan-1-yl]methyl]-1,2,4-oxadiazole IUPAC Name: 3-[(4-benzylsulfonyl-1,4-diazepan-1-yl)methyl]-5-phenyl-1,2,4-oxadiazole Traditional Name: 3-[(4-benzylsulfonyl-1,4-diazepan-1-yl)methyl]-5-phenyl-1,2,4-oxadiazole Formula: C21H24N4O3S MolecularWeight: 412.50526

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)S(=O)(=O)CC2=CC=CC=C2)CC3=NOC(=N3)C4=CC=CC=C4

Isomeric SMILES

C1CN(CCN(C1)S(=O)(=O)CC2=CC=CC=C2)CC3=NOC(=N3)C4=CC=CC=C4

InChI

InChI=1S/C21H24N4O3S/c26-29(27,17-18-8-3-1-4-9-18)25-13-7-12-24(14-15-25)16-20-22-21(28-23-20)19-10-5-2-6-11-19/h1-6,8-11H,7,12-17H2