2-methyl-4-(3-methylbutanoylamino)benzenesulfonyl chloride

Systemtic Name: 2-methyl-4-(3-methylbutanoylamino)benzenesulfonyl chloride Openeye Name: 2-methyl-4-(3-methylbutanoylamino)benzenesulfonyl chloride CAS Name: 2-methyl-4-[(3-methyl-1-oxobutyl)amino]benzenesulfonyl chloride IUPAC Name: 2-methyl-4-(3-methylbutanoylamino)benzenesulfonyl chloride Traditional Name: 4-(isovalerylamino)-2-methyl-benzenesulfonyl chloride Formula: C12H16ClNO3S MolecularWeight: 289.77834

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H16ClNO3S/c1-8(2)6-12(15)14-10-4-5-11(9(3)7-10)18(13,16)17/h4-5,7-8H,6H2,1-3H3,(H,14,15)