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

Systemtic Name: 1-[1-(3,4-dimethoxyphenyl)sulfonyl-3,5-dimethyl-pyrazol-4-yl]sulfonylazepane Openeye Name: 1-[1-(3,4-dimethoxyphenyl)sulfonyl-3,5-dimethyl-pyrazol-4-yl]sulfonylazepane CAS Name: 1-[[1-(3,4-dimethoxyphenyl)sulfonyl-3,5-dimethyl-4-pyrazolyl]sulfonyl]azepane IUPAC Name: 1-[1-(3,4-dimethoxyphenyl)sulfonyl-3,5-dimethylpyrazol-4-yl]sulfonylazepane Traditional Name: 1-[1-(3,4-dimethoxyphenyl)sulfonyl-3,5-dimethyl-pyrazol-4-yl]sulfonylazepane Formula: C19H27N3O6S2 MolecularWeight: 457.56418

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H27N3O6S2/c1-14-19(30(25,26)21-11-7-5-6-8-12-21)15(2)22(20-14)29(23,24)16-9-10-17(27-3)18(13-16)28-4/h9-10,13H,5-8,11-12H2,1-4H3