1-(4-bromanyl-3,5-dimethyl-pyrazol-1-yl)sulfonylazepane

Systemtic Name: 1-(4-bromanyl-3,5-dimethyl-pyrazol-1-yl)sulfonylazepane Openeye Name: 1-(4-bromo-3,5-dimethyl-pyrazol-1-yl)sulfonylazepane CAS Name: 1-[(4-bromo-3,5-dimethyl-1-pyrazolyl)sulfonyl]azepane IUPAC Name: 1-(4-bromo-3,5-dimethylpyrazol-1-yl)sulfonylazepane Traditional Name: 1-(4-bromo-3,5-dimethyl-pyrazol-1-yl)sulfonylazepane Formula: C11H18BrN3O2S MolecularWeight: 336.24852

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1S(=O)(=O)N2CCCCCC2)C)Br

Isomeric SMILES

CC1=C(C(=NN1S(=O)(=O)N2CCCCCC2)C)Br

InChI

InChI=1S/C11H18BrN3O2S/c1-9-11(12)10(2)15(13-9)18(16,17)14-7-5-3-4-6-8-14/h3-8H2,1-2H3