5-methyl-N-[(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)methyl]-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide

Systemtic Name: 5-methyl-N-[(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)methyl]-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide Openeye Name: 5-methyl-N-[(5-pyrrolidin-1-ylsulfonyl-2-thienyl)methyl]-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide CAS Name: 5-methyl-N-[[5-(1-pyrrolidinylsulfonyl)-2-thiophenyl]methyl]-1-[3-(trifluoromethyl)phenyl]-4-pyrazolecarboxamide IUPAC Name: 5-methyl-N-[(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)methyl]-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide Traditional Name: 5-methyl-N-[(5-pyrrolidinosulfonyl-2-thienyl)methyl]-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide Formula: C21H21F3N4O3S2 MolecularWeight: 498.54165

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=NN1C2=CC=CC(=C2)C(F)(F)F)C(=O)NCC3=CC=C(S3)S(=O)(=O)N4CCCC4

Isomeric SMILES

CC1=C(C=NN1C2=CC=CC(=C2)C(F)(F)F)C(=O)NCC3=CC=C(S3)S(=O)(=O)N4CCCC4

InChI

InChI=1S/C21H21F3N4O3S2/c1-14-18(13-26-28(14)16-6-4-5-15(11-16)21(22,23)24)20(29)25-12-17-7-8-19(32-17)33(30,31)27-9-2-3-10-27/h4-8,11,13H,2-3,9-10,12H2,1H3,(H,25,29)