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

Systemtic Name: 1-[1-(4-bromophenyl)sulfonyl-3,5-dimethyl-pyrazol-4-yl]sulfonylazepane Openeye Name: 1-[1-(4-bromophenyl)sulfonyl-3,5-dimethyl-pyrazol-4-yl]sulfonylazepane CAS Name: 1-[[1-(4-bromophenyl)sulfonyl-3,5-dimethyl-4-pyrazolyl]sulfonyl]azepane IUPAC Name: 1-[1-(4-bromophenyl)sulfonyl-3,5-dimethylpyrazol-4-yl]sulfonylazepane Traditional Name: 1-(1-brosyl-3,5-dimethyl-pyrazol-4-yl)sulfonylazepane Formula: C17H22BrN3O4S2 MolecularWeight: 476.40828

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H22BrN3O4S2/c1-13-17(27(24,25)20-11-5-3-4-6-12-20)14(2)21(19-13)26(22,23)16-9-7-15(18)8-10-16/h7-10H,3-6,11-12H2,1-2H3