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

Systemtic Name: 1-(3,5-dimethyl-1-methylsulfonyl-pyrazol-4-yl)sulfonylazepane Openeye Name: 1-(3,5-dimethyl-1-methylsulfonyl-pyrazol-4-yl)sulfonylazepane CAS Name: 1-[(3,5-dimethyl-1-methylsulfonyl-4-pyrazolyl)sulfonyl]azepane IUPAC Name: 1-(3,5-dimethyl-1-methylsulfonylpyrazol-4-yl)sulfonylazepane Traditional Name: 1-(1-mesyl-3,5-dimethyl-pyrazol-4-yl)sulfonylazepane Formula: C12H21N3O4S2 MolecularWeight: 335.44284

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H21N3O4S2/c1-10-12(11(2)15(13-10)20(3,16)17)21(18,19)14-8-6-4-5-7-9-14/h4-9H2,1-3H3