1-(2-bromanyl-4,5-dimethoxy-phenyl)sulfonyl-1,4-diazepane

Systemtic Name: 1-(2-bromanyl-4,5-dimethoxy-phenyl)sulfonyl-1,4-diazepane Openeye Name: 1-(2-bromo-4,5-dimethoxy-phenyl)sulfonyl-1,4-diazepane CAS Name: 1-(2-bromo-4,5-dimethoxyphenyl)sulfonyl-1,4-diazepane IUPAC Name: 1-(2-bromo-4,5-dimethoxyphenyl)sulfonyl-1,4-diazepane Traditional Name: 1-(2-bromo-4,5-dimethoxy-phenyl)sulfonyl-1,4-diazepane Formula: C13H19BrN2O4S MolecularWeight: 379.26996

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1OC)Br)S(=O)(=O)N2CCCNCC2

Isomeric SMILES

COC1=CC(=C(C=C1OC)Br)S(=O)(=O)N2CCCNCC2

InChI

InChI=1S/C13H19BrN2O4S/c1-19-11-8-10(14)13(9-12(11)20-2)21(17,18)16-6-3-4-15-5-7-16/h8-9,15H,3-7H2,1-2H3