N-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-4-fluoranyl-naphthalene-1-sulfonamide

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NS(=O)(=O)C3=CC=C(C4=CC=CC=C43)F

Isomeric SMILES

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NS(=O)(=O)C3=CC=C(C4=CC=CC=C43)F

InChI

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