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

Systemtic Name: 2-[3-(aminomethyl)phenyl]-5-ethyl-N-[2-fluoranyl-6-(2-methylsulfonylphenyl)phenyl]pyrazole-3-carboxamide Openeye Name: 2-[3-(aminomethyl)phenyl]-5-ethyl-N-[2-fluoro-6-(2-methylsulfonylphenyl)phenyl]pyrazole-3-carboxamide CAS Name: 2-[3-(aminomethyl)phenyl]-5-ethyl-N-[2-fluoro-6-(2-methylsulfonylphenyl)phenyl]-3-pyrazolecarboxamide IUPAC Name: 2-[3-(aminomethyl)phenyl]-5-ethyl-N-[2-fluoro-6-(2-methylsulfonylphenyl)phenyl]pyrazole-3-carboxamide Traditional Name: 2-[3-(aminomethyl)phenyl]-5-ethyl-N-[2-fluoro-6-(2-mesylphenyl)phenyl]pyrazole-3-carboxamide Formula: C26H25FN4O3S MolecularWeight: 492.565103

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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=CC=CC(=C4)CN

Isomeric SMILES

CCC1=NN(C(=C1)C(=O)NC2=C(C=CC=C2F)C3=CC=CC=C3S(=O)(=O)C)C4=CC=CC(=C4)CN

InChI

InChI=1S/C26H25FN4O3S/c1-3-18-15-23(31(30-18)19-9-6-8-17(14-19)16-28)26(32)29-25-21(11-7-12-22(25)27)20-10-4-5-13-24(20)35(2,33)34/h4-15H,3,16,28H2,1-2H3,(H,29,32)