1-[3,5-dimethyl-1-(4-methylphenyl)sulfonyl-pyrazol-4-yl]sulfonylazepane

Systemtic Name: 1-[3,5-dimethyl-1-(4-methylphenyl)sulfonyl-pyrazol-4-yl]sulfonylazepane Openeye Name: 1-[3,5-dimethyl-1-(p-tolylsulfonyl)pyrazol-4-yl]sulfonylazepane CAS Name: 1-[[3,5-dimethyl-1-(4-methylphenyl)sulfonyl-4-pyrazolyl]sulfonyl]azepane IUPAC Name: 1-[3,5-dimethyl-1-(4-methylphenyl)sulfonylpyrazol-4-yl]sulfonylazepane Traditional Name: 1-(3,5-dimethyl-1-tosyl-pyrazol-4-yl)sulfonylazepane Formula: C18H25N3O4S2 MolecularWeight: 411.5388

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2C(=C(C(=N2)C)S(=O)(=O)N3CCCCCC3)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2C(=C(C(=N2)C)S(=O)(=O)N3CCCCCC3)C

InChI

InChI=1S/C18H25N3O4S2/c1-14-8-10-17(11-9-14)26(22,23)21-16(3)18(15(2)19-21)27(24,25)20-12-6-4-5-7-13-20/h8-11H,4-7,12-13H2,1-3H3