2-(3-azanyl-1,2-benzoxazol-5-yl)-5-ethyl-N-[2-fluoranyl-6-(2-methylsulfonylphenyl)phenyl]pyrazole-3-carboxamide

Systemtic Name: 2-(3-azanyl-1,2-benzoxazol-5-yl)-5-ethyl-N-[2-fluoranyl-6-(2-methylsulfonylphenyl)phenyl]pyrazole-3-carboxamide Openeye Name: 2-(3-amino-1,2-benzoxazol-5-yl)-5-ethyl-N-[2-fluoro-6-(2-methylsulfonylphenyl)phenyl]pyrazole-3-carboxamide CAS Name: 2-(3-amino-1,2-benzoxazol-5-yl)-5-ethyl-N-[2-fluoro-6-(2-methylsulfonylphenyl)phenyl]-3-pyrazolecarboxamide IUPAC Name: 2-(3-amino-1,2-benzoxazol-5-yl)-5-ethyl-N-[2-fluoro-6-(2-methylsulfonylphenyl)phenyl]pyrazole-3-carboxamide Traditional Name: 2-(3-aminoindoxazen-5-yl)-5-ethyl-N-[2-fluoro-6-(2-mesylphenyl)phenyl]pyrazole-3-carboxamide Formula: C26H22FN5O4S MolecularWeight: 519.547383

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NN(C(=C1)C(=O)NC2=C(C=CC=C2F)C3=CC=CC=C3S(=O)(=O)C)C4=CC5=C(C=C4)ON=C5N

Isomeric SMILES

CCC1=NN(C(=C1)C(=O)NC2=C(C=CC=C2F)C3=CC=CC=C3S(=O)(=O)C)C4=CC5=C(C=C4)ON=C5N

InChI

InChI=1S/C26H22FN5O4S/c1-3-15-13-21(32(30-15)16-11-12-22-19(14-16)25(28)31-36-22)26(33)29-24-18(8-6-9-20(24)27)17-7-4-5-10-23(17)37(2,34)35/h4-14H,3H2,1-2H3,(H2,28,31)(H,29,33)