3,5-dimethyl-4-(3-methylbutanoylamino)benzenesulfonyl chloride

Systemtic Name: 3,5-dimethyl-4-(3-methylbutanoylamino)benzenesulfonyl chloride Openeye Name: 3,5-dimethyl-4-(3-methylbutanoylamino)benzenesulfonyl chloride CAS Name: 3,5-dimethyl-4-[(3-methyl-1-oxobutyl)amino]benzenesulfonyl chloride IUPAC Name: 3,5-dimethyl-4-(3-methylbutanoylamino)benzenesulfonyl chloride Traditional Name: 4-(isovalerylamino)-3,5-dimethyl-benzenesulfonyl chloride Formula: C13H18ClNO3S MolecularWeight: 303.80492

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1NC(=O)CC(C)C)C)S(=O)(=O)Cl

Isomeric SMILES

CC1=CC(=CC(=C1NC(=O)CC(C)C)C)S(=O)(=O)Cl

InChI

InChI=1S/C13H18ClNO3S/c1-8(2)5-12(16)15-13-9(3)6-11(7-10(13)4)19(14,17)18/h6-8H,5H2,1-4H3,(H,15,16)