N-[4-(3-methylbutanoyl)phenyl]methanesulfonamide

Systemtic Name: N-[4-(3-methylbutanoyl)phenyl]methanesulfonamide Openeye Name: N-[4-(3-methylbutanoyl)phenyl]methanesulfonamide CAS Name: N-[4-(3-methyl-1-oxobutyl)phenyl]methanesulfonamide IUPAC Name: N-[4-(3-methylbutanoyl)phenyl]methanesulfonamide Traditional Name: N-(4-isovalerylphenyl)methanesulfonamide Formula: C12H17NO3S MolecularWeight: 255.33328

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)C1=CC=C(C=C1)NS(=O)(=O)C

Isomeric SMILES

CC(C)CC(=O)C1=CC=C(C=C1)NS(=O)(=O)C

InChI

InChI=1S/C12H17NO3S/c1-9(2)8-12(14)10-4-6-11(7-5-10)13-17(3,15)16/h4-7,9,13H,8H2,1-3H3