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

Systemtic Name: 3-fluoranyl-4-methyl-N-[3-[(3-methylbutanoylamino)carbamoyl]phenyl]benzenesulfonamide Openeye Name: 3-fluoro-4-methyl-N-[3-[(3-methylbutanoylamino)carbamoyl]phenyl]benzenesulfonamide CAS Name: 3-fluoro-4-methyl-N-[3-[[(3-methyl-1-oxobutyl)hydrazo]-oxomethyl]phenyl]benzenesulfonamide IUPAC Name: 3-fluoro-4-methyl-N-[3-[(3-methylbutanoylamino)carbamoyl]phenyl]benzenesulfonamide Traditional Name: 3-fluoro-N-[3-[(isovalerylamino)carbamoyl]phenyl]-4-methyl-benzenesulfonamide Formula: C19H22FN3O4S MolecularWeight: 407.459083

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)NC2=CC=CC(=C2)C(=O)NNC(=O)CC(C)C)F

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)NC2=CC=CC(=C2)C(=O)NNC(=O)CC(C)C)F

InChI

InChI=1S/C19H22FN3O4S/c1-12(2)9-18(24)21-22-19(25)14-5-4-6-15(10-14)23-28(26,27)16-8-7-13(3)17(20)11-16/h4-8,10-12,23H,9H2,1-3H3,(H,21,24)(H,22,25)