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

Systemtic Name: 5-phenyl-3-[[4-(2-phenylethenylsulfonyl)-1,4-diazepan-1-yl]methyl]-1,2,4-oxadiazole Openeye Name: 5-phenyl-3-[(4-styrylsulfonyl-1,4-diazepan-1-yl)methyl]-1,2,4-oxadiazole CAS Name: 5-phenyl-3-[[4-(2-phenylethenylsulfonyl)-1,4-diazepan-1-yl]methyl]-1,2,4-oxadiazole IUPAC Name: 5-phenyl-3-[[4-(2-phenylethenylsulfonyl)-1,4-diazepan-1-yl]methyl]-1,2,4-oxadiazole Traditional Name: 5-phenyl-3-[(4-styrylsulfonyl-1,4-diazepan-1-yl)methyl]-1,2,4-oxadiazole Formula: C22H24N4O3S MolecularWeight: 424.51596

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H24N4O3S/c27-30(28,17-12-19-8-3-1-4-9-19)26-14-7-13-25(15-16-26)18-21-23-22(29-24-21)20-10-5-2-6-11-20/h1-6,8-12,17H,7,13-16,18H2