2-[3-(aminomethyl)phenyl]-N-[2-fluoranyl-4-(2-methylsulfonylphenyl)phenyl]-5-methyl-pyrazole-3-carboxamide

Systemtic Name: 2-[3-(aminomethyl)phenyl]-N-[2-fluoranyl-4-(2-methylsulfonylphenyl)phenyl]-5-methyl-pyrazole-3-carboxamide Openeye Name: 2-[3-(aminomethyl)phenyl]-N-[2-fluoro-4-(2-methylsulfonylphenyl)phenyl]-5-methyl-pyrazole-3-carboxamide CAS Name: 2-[3-(aminomethyl)phenyl]-N-[2-fluoro-4-(2-methylsulfonylphenyl)phenyl]-5-methyl-3-pyrazolecarboxamide IUPAC Name: 2-[3-(aminomethyl)phenyl]-N-[2-fluoro-4-(2-methylsulfonylphenyl)phenyl]-5-methylpyrazole-3-carboxamide Traditional Name: 2-[3-(aminomethyl)phenyl]-N-[2-fluoro-4-(2-mesylphenyl)phenyl]-5-methyl-pyrazole-3-carboxamide Formula: C25H23FN4O3S MolecularWeight: 478.538523

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1)C(=O)NC2=C(C=C(C=C2)C3=CC=CC=C3S(=O)(=O)C)F)C4=CC=CC(=C4)CN

Isomeric SMILES

CC1=NN(C(=C1)C(=O)NC2=C(C=C(C=C2)C3=CC=CC=C3S(=O)(=O)C)F)C4=CC=CC(=C4)CN

InChI

InChI=1S/C25H23FN4O3S/c1-16-12-23(30(29-16)19-7-5-6-17(13-19)15-27)25(31)28-22-11-10-18(14-21(22)26)20-8-3-4-9-24(20)34(2,32)33/h3-14H,15,27H2,1-2H3,(H,28,31)