4-fluoranyl-N-[2-[(3-methylbutanoylamino)carbamoyl]phenyl]benzenesulfonamide

Systemtic Name: 4-fluoranyl-N-[2-[(3-methylbutanoylamino)carbamoyl]phenyl]benzenesulfonamide Openeye Name: 4-fluoro-N-[2-[(3-methylbutanoylamino)carbamoyl]phenyl]benzenesulfonamide CAS Name: 4-fluoro-N-[2-[[(3-methyl-1-oxobutyl)hydrazo]-oxomethyl]phenyl]benzenesulfonamide IUPAC Name: 4-fluoro-N-[2-[(3-methylbutanoylamino)carbamoyl]phenyl]benzenesulfonamide Traditional Name: 4-fluoro-N-[2-[(isovalerylamino)carbamoyl]phenyl]benzenesulfonamide Formula: C18H20FN3O4S MolecularWeight: 393.432503

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)NNC(=O)C1=CC=CC=C1NS(=O)(=O)C2=CC=C(C=C2)F

Isomeric SMILES

CC(C)CC(=O)NNC(=O)C1=CC=CC=C1NS(=O)(=O)C2=CC=C(C=C2)F

InChI

InChI=1S/C18H20FN3O4S/c1-12(2)11-17(23)20-21-18(24)15-5-3-4-6-16(15)22-27(25,26)14-9-7-13(19)8-10-14/h3-10,12,22H,11H2,1-2H3,(H,20,23)(H,21,24)