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

Systemtic Name: 3,5-bis(chloranyl)-4-(3,3-dimethylbutanoylamino)-2-methyl-benzenesulfonyl chloride Openeye Name: 3,5-dichloro-4-(3,3-dimethylbutanoylamino)-2-methyl-benzenesulfonyl chloride CAS Name: 3,5-dichloro-4-[(3,3-dimethyl-1-oxobutyl)amino]-2-methylbenzenesulfonyl chloride IUPAC Name: 3,5-dichloro-4-(3,3-dimethylbutanoylamino)-2-methylbenzenesulfonyl chloride Traditional Name: 3,5-dichloro-4-(3,3-dimethylbutanoylamino)-2-methyl-benzenesulfonyl chloride Formula: C13H16Cl3NO3S MolecularWeight: 372.69504

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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)C)Cl

Isomeric SMILES

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

InChI

InChI=1S/C13H16Cl3NO3S/c1-7-9(21(16,19)20)5-8(14)12(11(7)15)17-10(18)6-13(2,3)4/h5H,6H2,1-4H3,(H,17,18)