2-(2-bromanyl-5-methoxy-4-oxidanyl-phenyl)-1-[4-[(4-methylsulfonylphenyl)methyl]-1,4-diazepan-1-yl]ethanone

Systemtic Name: 2-(2-bromanyl-5-methoxy-4-oxidanyl-phenyl)-1-[4-[(4-methylsulfonylphenyl)methyl]-1,4-diazepan-1-yl]ethanone Openeye Name: 2-(2-bromo-4-hydroxy-5-methoxy-phenyl)-1-[4-[(4-methylsulfonylphenyl)methyl]-1,4-diazepan-1-yl]ethanone CAS Name: 2-(2-bromo-4-hydroxy-5-methoxyphenyl)-1-[4-[(4-methylsulfonylphenyl)methyl]-1,4-diazepan-1-yl]ethanone IUPAC Name: 2-(2-bromo-4-hydroxy-5-methoxyphenyl)-1-[4-[(4-methylsulfonylphenyl)methyl]-1,4-diazepan-1-yl]ethanone Traditional Name: 2-(2-bromo-4-hydroxy-5-methoxy-phenyl)-1-[4-(4-mesylbenzyl)-1,4-diazepan-1-yl]ethanone Formula: C22H27BrN2O5S MolecularWeight: 511.42918

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)CC(=O)N2CCCN(CC2)CC3=CC=C(C=C3)S(=O)(=O)C)Br)O

Isomeric SMILES

COC1=C(C=C(C(=C1)CC(=O)N2CCCN(CC2)CC3=CC=C(C=C3)S(=O)(=O)C)Br)O

InChI

InChI=1S/C22H27BrN2O5S/c1-30-21-12-17(19(23)14-20(21)26)13-22(27)25-9-3-8-24(10-11-25)15-16-4-6-18(7-5-16)31(2,28)29/h4-7,12,14,26H,3,8-11,13,15H2,1-2H3