1-[4-(azepan-1-ylsulfonyl)-3,5-dimethyl-pyrazol-1-yl]ethanone

Systemtic Name: 1-[4-(azepan-1-ylsulfonyl)-3,5-dimethyl-pyrazol-1-yl]ethanone Openeye Name: 1-[4-(azepan-1-ylsulfonyl)-3,5-dimethyl-pyrazol-1-yl]ethanone CAS Name: 1-[4-(1-azepanylsulfonyl)-3,5-dimethyl-1-pyrazolyl]ethanone IUPAC Name: 1-[4-(azepan-1-ylsulfonyl)-3,5-dimethylpyrazol-1-yl]ethanone Traditional Name: 1-[4-(azepan-1-ylsulfonyl)-3,5-dimethyl-pyrazol-1-yl]ethanone Formula: C13H21N3O3S MolecularWeight: 299.38914

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C(=O)C)C)S(=O)(=O)N2CCCCCC2

Isomeric SMILES

CC1=C(C(=NN1C(=O)C)C)S(=O)(=O)N2CCCCCC2

InChI

InChI=1S/C13H21N3O3S/c1-10-13(11(2)16(14-10)12(3)17)20(18,19)15-8-6-4-5-7-9-15/h4-9H2,1-3H3