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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)S(=O)(=O)Cl)OC)NC(=O)CC(C)C

Isomeric SMILES

CC1=CC(=C(C(=C1)S(=O)(=O)Cl)OC)NC(=O)CC(C)C

InChI

InChI=1S/C13H18ClNO4S/c1-8(2)5-12(16)15-10-6-9(3)7-11(13(10)19-4)20(14,17)18/h6-8H,5H2,1-4H3,(H,15,16)