N-[1-[(4-fluorophenyl)methyl]-3,5-dimethyl-pyrazol-4-yl]quinoline-8-sulfonamide

Systemtic Name: N-[1-[(4-fluorophenyl)methyl]-3,5-dimethyl-pyrazol-4-yl]quinoline-8-sulfonamide Openeye Name: N-[1-[(4-fluorophenyl)methyl]-3,5-dimethyl-pyrazol-4-yl]quinoline-8-sulfonamide CAS Name: N-[1-[(4-fluorophenyl)methyl]-3,5-dimethyl-4-pyrazolyl]-8-quinolinesulfonamide IUPAC Name: N-[1-[(4-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]quinoline-8-sulfonamide Traditional Name: N-[1-(4-fluorobenzyl)-3,5-dimethyl-pyrazol-4-yl]quinoline-8-sulfonamide Formula: C21H19FN4O2S MolecularWeight: 410.464563

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC2=CC=C(C=C2)F)C)NS(=O)(=O)C3=CC=CC4=C3N=CC=C4

Isomeric SMILES

CC1=C(C(=NN1CC2=CC=C(C=C2)F)C)NS(=O)(=O)C3=CC=CC4=C3N=CC=C4

InChI

InChI=1S/C21H19FN4O2S/c1-14-20(15(2)26(24-14)13-16-8-10-18(22)11-9-16)25-29(27,28)19-7-3-5-17-6-4-12-23-21(17)19/h3-12,25H,13H2,1-2H3