2-methoxy-5-[(3-methylbutanoylamino)methyl]benzenesulfonyl chloride

Systemtic Name: 2-methoxy-5-[(3-methylbutanoylamino)methyl]benzenesulfonyl chloride Openeye Name: 2-methoxy-5-[(3-methylbutanoylamino)methyl]benzenesulfonyl chloride CAS Name: 2-methoxy-5-[[(3-methyl-1-oxobutyl)amino]methyl]benzenesulfonyl chloride IUPAC Name: 2-methoxy-5-[(3-methylbutanoylamino)methyl]benzenesulfonyl chloride Traditional Name: 5-[(isovalerylamino)methyl]-2-methoxy-benzenesulfonyl chloride Formula: C13H18ClNO4S MolecularWeight: 319.80432

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)NCC1=CC(=C(C=C1)OC)S(=O)(=O)Cl

Isomeric SMILES

CC(C)CC(=O)NCC1=CC(=C(C=C1)OC)S(=O)(=O)Cl

InChI

InChI=1S/C13H18ClNO4S/c1-9(2)6-13(16)15-8-10-4-5-11(19-3)12(7-10)20(14,17)18/h4-5,7,9H,6,8H2,1-3H3,(H,15,16)