2-[3-(aminomethyl)phenyl]-N-[2-fluoranyl-6-(2-methylsulfonylphenyl)phenyl]-5-methylsulfonyl-pyrazole-3-carboxamide

Systemtic Name: 2-[3-(aminomethyl)phenyl]-N-[2-fluoranyl-6-(2-methylsulfonylphenyl)phenyl]-5-methylsulfonyl-pyrazole-3-carboxamide Openeye Name: 2-[3-(aminomethyl)phenyl]-N-[2-fluoro-6-(2-methylsulfonylphenyl)phenyl]-5-methylsulfonyl-pyrazole-3-carboxamide CAS Name: 2-[3-(aminomethyl)phenyl]-N-[2-fluoro-6-(2-methylsulfonylphenyl)phenyl]-5-methylsulfonyl-3-pyrazolecarboxamide IUPAC Name: 2-[3-(aminomethyl)phenyl]-N-[2-fluoro-6-(2-methylsulfonylphenyl)phenyl]-5-methylsulfonylpyrazole-3-carboxamide Traditional Name: 2-[3-(aminomethyl)phenyl]-N-[2-fluoro-6-(2-mesylphenyl)phenyl]-5-mesyl-pyrazole-3-carboxamide Formula: C25H23FN4O5S2 MolecularWeight: 542.602323

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=CC=C1C2=C(C(=CC=C2)F)NC(=O)C3=CC(=NN3C4=CC=CC(=C4)CN)S(=O)(=O)C

Isomeric SMILES

CS(=O)(=O)C1=CC=CC=C1C2=C(C(=CC=C2)F)NC(=O)C3=CC(=NN3C4=CC=CC(=C4)CN)S(=O)(=O)C

InChI

InChI=1S/C25H23FN4O5S2/c1-36(32,33)22-12-4-3-9-18(22)19-10-6-11-20(26)24(19)28-25(31)21-14-23(37(2,34)35)29-30(21)17-8-5-7-16(13-17)15-27/h3-14H,15,27H2,1-2H3,(H,28,31)