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

Systemtic Name: 3-[[4-(4-bromanyl-2-ethyl-phenyl)sulfonyl-1,4-diazepan-1-yl]methyl]-5-methyl-1,2-oxazole Openeye Name: 3-[[4-(4-bromo-2-ethyl-phenyl)sulfonyl-1,4-diazepan-1-yl]methyl]-5-methyl-isoxazole CAS Name: 3-[[4-(4-bromo-2-ethylphenyl)sulfonyl-1,4-diazepan-1-yl]methyl]-5-methylisoxazole IUPAC Name: 3-[[4-(4-bromo-2-ethylphenyl)sulfonyl-1,4-diazepan-1-yl]methyl]-5-methyl-1,2-oxazole Traditional Name: 3-[[4-(4-bromo-2-ethyl-phenyl)sulfonyl-1,4-diazepan-1-yl]methyl]-5-methyl-isoxazole Formula: C18H24BrN3O3S MolecularWeight: 442.37046

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=CC(=C1)Br)S(=O)(=O)N2CCCN(CC2)CC3=NOC(=C3)C

Isomeric SMILES

CCC1=C(C=CC(=C1)Br)S(=O)(=O)N2CCCN(CC2)CC3=NOC(=C3)C

InChI

InChI=1S/C18H24BrN3O3S/c1-3-15-12-16(19)5-6-18(15)26(23,24)22-8-4-7-21(9-10-22)13-17-11-14(2)25-20-17/h5-6,11-12H,3-4,7-10,13H2,1-2H3