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

Systemtic Name: 4-[[4-(4-bromanyl-2-ethyl-phenyl)sulfonyl-1,4-diazepan-1-yl]methyl]-3,5-dimethyl-1,2-oxazole Openeye Name: 4-[[4-(4-bromo-2-ethyl-phenyl)sulfonyl-1,4-diazepan-1-yl]methyl]-3,5-dimethyl-isoxazole CAS Name: 4-[[4-(4-bromo-2-ethylphenyl)sulfonyl-1,4-diazepan-1-yl]methyl]-3,5-dimethylisoxazole IUPAC Name: 4-[[4-(4-bromo-2-ethylphenyl)sulfonyl-1,4-diazepan-1-yl]methyl]-3,5-dimethyl-1,2-oxazole Traditional Name: 4-[[4-(4-bromo-2-ethyl-phenyl)sulfonyl-1,4-diazepan-1-yl]methyl]-3,5-dimethyl-isoxazole Formula: C19H26BrN3O3S MolecularWeight: 456.39704

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=CC(=C1)Br)S(=O)(=O)N2CCCN(CC2)CC3=C(ON=C3C)C

Isomeric SMILES

CCC1=C(C=CC(=C1)Br)S(=O)(=O)N2CCCN(CC2)CC3=C(ON=C3C)C

InChI

InChI=1S/C19H26BrN3O3S/c1-4-16-12-17(20)6-7-19(16)27(24,25)23-9-5-8-22(10-11-23)13-18-14(2)21-26-15(18)3/h6-7,12H,4-5,8-11,13H2,1-3H3