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

Systemtic Name: 1-[1-(2,5-dimethylphenyl)sulfonyl-3,5-dimethyl-pyrazol-4-yl]sulfonylazepane Openeye Name: 1-[1-(2,5-dimethylphenyl)sulfonyl-3,5-dimethyl-pyrazol-4-yl]sulfonylazepane CAS Name: 1-[[1-(2,5-dimethylphenyl)sulfonyl-3,5-dimethyl-4-pyrazolyl]sulfonyl]azepane IUPAC Name: 1-[1-(2,5-dimethylphenyl)sulfonyl-3,5-dimethylpyrazol-4-yl]sulfonylazepane Traditional Name: 1-[1-(2,5-dimethylphenyl)sulfonyl-3,5-dimethyl-pyrazol-4-yl]sulfonylazepane Formula: C19H27N3O4S2 MolecularWeight: 425.56538

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H27N3O4S2/c1-14-9-10-15(2)18(13-14)27(23,24)22-17(4)19(16(3)20-22)28(25,26)21-11-7-5-6-8-12-21/h9-10,13H,5-8,11-12H2,1-4H3