3-ethyl-5-methyl-4-(3-methylbutanoylamino)benzenesulfonyl chloride

Systemtic Name: 3-ethyl-5-methyl-4-(3-methylbutanoylamino)benzenesulfonyl chloride Openeye Name: 3-ethyl-5-methyl-4-(3-methylbutanoylamino)benzenesulfonyl chloride CAS Name: 3-ethyl-5-methyl-4-[(3-methyl-1-oxobutyl)amino]benzenesulfonyl chloride IUPAC Name: 3-ethyl-5-methyl-4-(3-methylbutanoylamino)benzenesulfonyl chloride Traditional Name: 3-ethyl-4-(isovalerylamino)-5-methyl-benzenesulfonyl chloride Formula: C14H20ClNO3S MolecularWeight: 317.8315

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=CC(=C1)S(=O)(=O)Cl)C)NC(=O)CC(C)C

Isomeric SMILES

CCC1=C(C(=CC(=C1)S(=O)(=O)Cl)C)NC(=O)CC(C)C

InChI

InChI=1S/C14H20ClNO3S/c1-5-11-8-12(20(15,18)19)7-10(4)14(11)16-13(17)6-9(2)3/h7-9H,5-6H2,1-4H3,(H,16,17)