1-(4-bromanyl-3-methyl-phenyl)sulfonyl-1,4-diazepane

Systemtic Name: 1-(4-bromanyl-3-methyl-phenyl)sulfonyl-1,4-diazepane Openeye Name: 1-(4-bromo-3-methyl-phenyl)sulfonyl-1,4-diazepane CAS Name: 1-(4-bromo-3-methylphenyl)sulfonyl-1,4-diazepane IUPAC Name: 1-(4-bromo-3-methylphenyl)sulfonyl-1,4-diazepane Traditional Name: 1-(4-bromo-3-methyl-phenyl)sulfonyl-1,4-diazepane Formula: C12H17BrN2O2S MolecularWeight: 333.24458

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)S(=O)(=O)N2CCCNCC2)Br

Isomeric SMILES

CC1=C(C=CC(=C1)S(=O)(=O)N2CCCNCC2)Br

InChI

InChI=1S/C12H17BrN2O2S/c1-10-9-11(3-4-12(10)13)18(16,17)15-7-2-5-14-6-8-15/h3-4,9,14H,2,5-8H2,1H3