3,5-bis(chloranyl)-2-methyl-4-(3-methylbutanoylamino)benzenesulfonyl chloride

Systemtic Name: 3,5-bis(chloranyl)-2-methyl-4-(3-methylbutanoylamino)benzenesulfonyl chloride Openeye Name: 3,5-dichloro-2-methyl-4-(3-methylbutanoylamino)benzenesulfonyl chloride CAS Name: 3,5-dichloro-2-methyl-4-[(3-methyl-1-oxobutyl)amino]benzenesulfonyl chloride IUPAC Name: 3,5-dichloro-2-methyl-4-(3-methylbutanoylamino)benzenesulfonyl chloride Traditional Name: 3,5-dichloro-4-(isovalerylamino)-2-methyl-benzenesulfonyl chloride Formula: C12H14Cl3NO3S MolecularWeight: 358.66846

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C=C1S(=O)(=O)Cl)Cl)NC(=O)CC(C)C)Cl

Isomeric SMILES

CC1=C(C(=C(C=C1S(=O)(=O)Cl)Cl)NC(=O)CC(C)C)Cl

InChI

InChI=1S/C12H14Cl3NO3S/c1-6(2)4-10(17)16-12-8(13)5-9(20(15,18)19)7(3)11(12)14/h5-6H,4H2,1-3H3,(H,16,17)