4-cycloheptylsulfonyl-2-ethyl-5-methylsulfonyl-benzoyl chloride

Systemtic Name: 4-cycloheptylsulfonyl-2-ethyl-5-methylsulfonyl-benzoyl chloride Openeye Name: 4-cycloheptylsulfonyl-2-ethyl-5-methylsulfonyl-benzoyl chloride CAS Name: 4-cycloheptylsulfonyl-2-ethyl-5-methylsulfonylbenzoyl chloride IUPAC Name: 4-cycloheptylsulfonyl-2-ethyl-5-methylsulfonylbenzoyl chloride Traditional Name: 4-cycloheptylsulfonyl-2-ethyl-5-mesyl-benzoyl chloride Formula: C17H23ClO5S2 MolecularWeight: 406.94452

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(C=C1C(=O)Cl)S(=O)(=O)C)S(=O)(=O)C2CCCCCC2

Isomeric SMILES

CCC1=CC(=C(C=C1C(=O)Cl)S(=O)(=O)C)S(=O)(=O)C2CCCCCC2

InChI

InChI=1S/C17H23ClO5S2/c1-3-12-10-16(15(24(2,20)21)11-14(12)17(18)19)25(22,23)13-8-6-4-5-7-9-13/h10-11,13H,3-9H2,1-2H3