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

Systemtic Name: 1-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)sulfonylazepane Openeye Name: 1-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)sulfonylazepane CAS Name: 1-[(3,5-dimethyl-1-phenyl-4-pyrazolyl)sulfonyl]azepane IUPAC Name: 1-(3,5-dimethyl-1-phenylpyrazol-4-yl)sulfonylazepane Traditional Name: 1-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)sulfonylazepane Formula: C17H23N3O2S MolecularWeight: 333.44842

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=CC=C2)C)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

CC1=C(C(=NN1C2=CC=CC=C2)C)S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C17H23N3O2S/c1-14-17(23(21,22)19-12-8-3-4-9-13-19)15(2)20(18-14)16-10-6-5-7-11-16/h5-7,10-11H,3-4,8-9,12-13H2,1-2H3