N-(4-fluorophenyl)-2-methyl-5-[(3-methylbutanoylamino)carbamoyl]benzenesulfonamide

Systemtic Name: N-(4-fluorophenyl)-2-methyl-5-[(3-methylbutanoylamino)carbamoyl]benzenesulfonamide Openeye Name: N-(4-fluorophenyl)-2-methyl-5-[(3-methylbutanoylamino)carbamoyl]benzenesulfonamide CAS Name: N-(4-fluorophenyl)-2-methyl-5-[[(3-methyl-1-oxobutyl)hydrazo]-oxomethyl]benzenesulfonamide IUPAC Name: N-(4-fluorophenyl)-2-methyl-5-[(3-methylbutanoylamino)carbamoyl]benzenesulfonamide Traditional Name: N-(4-fluorophenyl)-5-[(isovalerylamino)carbamoyl]-2-methyl-benzenesulfonamide Formula: C19H22FN3O4S MolecularWeight: 407.459083

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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