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

Systemtic Name: N-(2-fluorophenyl)-4-methyl-3-[(3-methylbutanoylamino)carbamoyl]benzenesulfonamide Openeye Name: N-(2-fluorophenyl)-4-methyl-3-[(3-methylbutanoylamino)carbamoyl]benzenesulfonamide CAS Name: N-(2-fluorophenyl)-4-methyl-3-[[(3-methyl-1-oxobutyl)hydrazo]-oxomethyl]benzenesulfonamide IUPAC Name: N-(2-fluorophenyl)-4-methyl-3-[(3-methylbutanoylamino)carbamoyl]benzenesulfonamide Traditional Name: N-(2-fluorophenyl)-3-[(isovalerylamino)carbamoyl]-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=C2F)C(=O)NNC(=O)CC(C)C

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)NC2=CC=CC=C2F)C(=O)NNC(=O)CC(C)C

InChI

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