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

Systemtic Name: 3-[[4-(4-bromanyl-2-ethyl-phenyl)sulfonyl-1,4-diazepan-1-yl]methyl]-5-phenyl-1,2,4-oxadiazole Openeye Name: 3-[[4-(4-bromo-2-ethyl-phenyl)sulfonyl-1,4-diazepan-1-yl]methyl]-5-phenyl-1,2,4-oxadiazole CAS Name: 3-[[4-(4-bromo-2-ethylphenyl)sulfonyl-1,4-diazepan-1-yl]methyl]-5-phenyl-1,2,4-oxadiazole IUPAC Name: 3-[[4-(4-bromo-2-ethylphenyl)sulfonyl-1,4-diazepan-1-yl]methyl]-5-phenyl-1,2,4-oxadiazole Traditional Name: 3-[[4-(4-bromo-2-ethyl-phenyl)sulfonyl-1,4-diazepan-1-yl]methyl]-5-phenyl-1,2,4-oxadiazole Formula: C22H25BrN4O3S MolecularWeight: 505.4279

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=CC(=C1)Br)S(=O)(=O)N2CCCN(CC2)CC3=NOC(=N3)C4=CC=CC=C4

Isomeric SMILES

CCC1=C(C=CC(=C1)Br)S(=O)(=O)N2CCCN(CC2)CC3=NOC(=N3)C4=CC=CC=C4

InChI

InChI=1S/C22H25BrN4O3S/c1-2-17-15-19(23)9-10-20(17)31(28,29)27-12-6-11-26(13-14-27)16-21-24-22(30-25-21)18-7-4-3-5-8-18/h3-5,7-10,15H,2,6,11-14,16H2,1H3