4-[(3-methylbutanoylamino)methyl]benzenesulfonyl chloride

Systemtic Name: 4-[(3-methylbutanoylamino)methyl]benzenesulfonyl chloride Openeye Name: 4-[(3-methylbutanoylamino)methyl]benzenesulfonyl chloride CAS Name: 4-[[(3-methyl-1-oxobutyl)amino]methyl]benzenesulfonyl chloride IUPAC Name: 4-[(3-methylbutanoylamino)methyl]benzenesulfonyl chloride Traditional Name: 4-[(isovalerylamino)methyl]benzenesulfonyl chloride Formula: C12H16ClNO3S MolecularWeight: 289.77834

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H16ClNO3S/c1-9(2)7-12(15)14-8-10-3-5-11(6-4-10)18(13,16)17/h3-6,9H,7-8H2,1-2H3,(H,14,15)