4-[1-(3-methylbutanoylamino)ethyl]benzenesulfonyl chloride

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H18ClNO3S/c1-9(2)8-13(16)15-10(3)11-4-6-12(7-5-11)19(14,17)18/h4-7,9-10H,8H2,1-3H3,(H,15,16)