N-[(4R)-3,4-dimethyl-5-oxidanylidene-1-phenyl-pyrazol-4-yl]-4-fluoranyl-naphthalene-1-sulfonamide

Systemtic Name: N-[(4R)-3,4-dimethyl-5-oxidanylidene-1-phenyl-pyrazol-4-yl]-4-fluoranyl-naphthalene-1-sulfonamide Openeye Name: N-[(4R)-3,4-dimethyl-5-oxo-1-phenyl-pyrazol-4-yl]-4-fluoro-naphthalene-1-sulfonamide CAS Name: N-[(4R)-3,4-dimethyl-5-oxo-1-phenyl-4-pyrazolyl]-4-fluoro-1-naphthalenesulfonamide IUPAC Name: N-[(4R)-3,4-dimethyl-5-oxo-1-phenylpyrazol-4-yl]-4-fluoronaphthalene-1-sulfonamide Traditional Name: 4-fluoro-N-[(4R)-5-keto-3,4-dimethyl-1-phenyl-2-pyrazolin-4-yl]naphthalene-1-sulfonamide Formula: C21H18FN3O3S MolecularWeight: 411.449323

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C1(C)NS(=O)(=O)C2=CC=C(C3=CC=CC=C32)F)C4=CC=CC=C4

Isomeric SMILES

CC1=NN(C(=O)[C@]1(C)NS(=O)(=O)C2=CC=C(C3=CC=CC=C32)F)C4=CC=CC=C4

InChI

InChI=1S/C21H18FN3O3S/c1-14-21(2,20(26)25(23-14)15-8-4-3-5-9-15)24-29(27,28)19-13-12-18(22)16-10-6-7-11-17(16)19/h3-13,24H,1-2H3/t21-/m1/s1