2-(1-ethylpyrazol-4-yl)-N-(5-ethylsulfonyl-2-oxidanyl-phenyl)quinoline-4-carboxamide

Systemtic Name: 2-(1-ethylpyrazol-4-yl)-N-(5-ethylsulfonyl-2-oxidanyl-phenyl)quinoline-4-carboxamide Openeye Name: 2-(1-ethylpyrazol-4-yl)-N-(5-ethylsulfonyl-2-hydroxy-phenyl)quinoline-4-carboxamide CAS Name: 2-(1-ethyl-4-pyrazolyl)-N-(5-ethylsulfonyl-2-hydroxyphenyl)-4-quinolinecarboxamide IUPAC Name: 2-(1-ethylpyrazol-4-yl)-N-(5-ethylsulfonyl-2-hydroxyphenyl)quinoline-4-carboxamide Traditional Name: N-(5-esyl-2-hydroxy-phenyl)-2-(1-ethylpyrazol-4-yl)cinchoninamide Formula: C23H22N4O4S MolecularWeight: 450.51018

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C=N1)C2=NC3=CC=CC=C3C(=C2)C(=O)NC4=C(C=CC(=C4)S(=O)(=O)CC)O

Isomeric SMILES

CCN1C=C(C=N1)C2=NC3=CC=CC=C3C(=C2)C(=O)NC4=C(C=CC(=C4)S(=O)(=O)CC)O

InChI

InChI=1S/C23H22N4O4S/c1-3-27-14-15(13-24-27)20-12-18(17-7-5-6-8-19(17)25-20)23(29)26-21-11-16(9-10-22(21)28)32(30,31)4-2/h5-14,28H,3-4H2,1-2H3,(H,26,29)