N-[1-[(2-chloranyl-6-fluoranyl-phenyl)methyl]-3,5-dimethyl-pyrazol-4-yl]quinoline-8-sulfonamide

Systemtic Name: N-[1-[(2-chloranyl-6-fluoranyl-phenyl)methyl]-3,5-dimethyl-pyrazol-4-yl]quinoline-8-sulfonamide Openeye Name: N-[1-[(2-chloro-6-fluoro-phenyl)methyl]-3,5-dimethyl-pyrazol-4-yl]quinoline-8-sulfonamide CAS Name: N-[1-[(2-chloro-6-fluorophenyl)methyl]-3,5-dimethyl-4-pyrazolyl]-8-quinolinesulfonamide IUPAC Name: N-[1-[(2-chloro-6-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]quinoline-8-sulfonamide Traditional Name: N-[1-(2-chloro-6-fluoro-benzyl)-3,5-dimethyl-pyrazol-4-yl]quinoline-8-sulfonamide Formula: C21H18ClFN4O2S MolecularWeight: 444.909623

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC2=C(C=CC=C2Cl)F)C)NS(=O)(=O)C3=CC=CC4=C3N=CC=C4

Isomeric SMILES

CC1=C(C(=NN1CC2=C(C=CC=C2Cl)F)C)NS(=O)(=O)C3=CC=CC4=C3N=CC=C4

InChI

InChI=1S/C21H18ClFN4O2S/c1-13-20(14(2)27(25-13)12-16-17(22)8-4-9-18(16)23)26-30(28,29)19-10-3-6-15-7-5-11-24-21(15)19/h3-11,26H,12H2,1-2H3