1-[3,5-dimethyl-1-(4-propan-2-ylphenyl)sulfonyl-pyrazol-4-yl]sulfonylazepane

Systemtic Name: 1-[3,5-dimethyl-1-(4-propan-2-ylphenyl)sulfonyl-pyrazol-4-yl]sulfonylazepane Openeye Name: 1-[1-(4-isopropylphenyl)sulfonyl-3,5-dimethyl-pyrazol-4-yl]sulfonylazepane CAS Name: 1-[[3,5-dimethyl-1-(4-propan-2-ylphenyl)sulfonyl-4-pyrazolyl]sulfonyl]azepane IUPAC Name: 1-[3,5-dimethyl-1-(4-propan-2-ylphenyl)sulfonylpyrazol-4-yl]sulfonylazepane Traditional Name: 1-(3,5-dimethyl-1-p-cumenylsulfonyl-pyrazol-4-yl)sulfonylazepane Formula: C20H29N3O4S2 MolecularWeight: 439.59196

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1S(=O)(=O)C2=CC=C(C=C2)C(C)C)C)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

CC1=C(C(=NN1S(=O)(=O)C2=CC=C(C=C2)C(C)C)C)S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C20H29N3O4S2/c1-15(2)18-9-11-19(12-10-18)28(24,25)23-17(4)20(16(3)21-23)29(26,27)22-13-7-5-6-8-14-22/h9-12,15H,5-8,13-14H2,1-4H3