4-[(3,3-dimethylbutanoylamino)methyl]benzenesulfonyl chloride

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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