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

Systemtic Name: 1-[1-(3,4-dichlorophenyl)sulfonyl-3,5-dimethyl-pyrazol-4-yl]sulfonylazepane Openeye Name: 1-[1-(3,4-dichlorophenyl)sulfonyl-3,5-dimethyl-pyrazol-4-yl]sulfonylazepane CAS Name: 1-[[1-(3,4-dichlorophenyl)sulfonyl-3,5-dimethyl-4-pyrazolyl]sulfonyl]azepane IUPAC Name: 1-[1-(3,4-dichlorophenyl)sulfonyl-3,5-dimethylpyrazol-4-yl]sulfonylazepane Traditional Name: 1-[1-(3,4-dichlorophenyl)sulfonyl-3,5-dimethyl-pyrazol-4-yl]sulfonylazepane Formula: C17H21Cl2N3O4S2 MolecularWeight: 466.40234

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H21Cl2N3O4S2/c1-12-17(28(25,26)21-9-5-3-4-6-10-21)13(2)22(20-12)27(23,24)14-7-8-15(18)16(19)11-14/h7-8,11H,3-6,9-10H2,1-2H3