(3-bromanyl-4-methoxy-phenyl)-[4-[(4-methylsulfonylphenyl)methyl]-1,4-diazepan-1-yl]methanone

Systemtic Name: (3-bromanyl-4-methoxy-phenyl)-[4-[(4-methylsulfonylphenyl)methyl]-1,4-diazepan-1-yl]methanone Openeye Name: (3-bromo-4-methoxy-phenyl)-[4-[(4-methylsulfonylphenyl)methyl]-1,4-diazepan-1-yl]methanone CAS Name: (3-bromo-4-methoxyphenyl)-[4-[(4-methylsulfonylphenyl)methyl]-1,4-diazepan-1-yl]methanone IUPAC Name: (3-bromo-4-methoxyphenyl)-[4-[(4-methylsulfonylphenyl)methyl]-1,4-diazepan-1-yl]methanone Traditional Name: (3-bromo-4-methoxy-phenyl)-[4-(4-mesylbenzyl)-1,4-diazepan-1-yl]methanone Formula: C21H25BrN2O4S MolecularWeight: 481.4032

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25BrN2O4S/c1-28-20-9-6-17(14-19(20)22)21(25)24-11-3-10-23(12-13-24)15-16-4-7-18(8-5-16)29(2,26)27/h4-9,14H,3,10-13,15H2,1-2H3