N-[3-[4-bromanyl-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-4-propyl-benzenesulfonamide

Systemtic Name: N-[3-[4-bromanyl-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-4-propyl-benzenesulfonamide Openeye Name: N-[3-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-4-propyl-benzenesulfonamide CAS Name: N-[3-[4-bromo-5-methyl-3-(trifluoromethyl)-1-pyrazolyl]propyl]-4-propylbenzenesulfonamide IUPAC Name: N-[3-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-4-propylbenzenesulfonamide Traditional Name: N-[3-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-4-propyl-benzenesulfonamide Formula: C17H21BrF3N3O2S MolecularWeight: 468.33175

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC=C(C=C1)S(=O)(=O)NCCCN2C(=C(C(=N2)C(F)(F)F)Br)C

Isomeric SMILES

CCCC1=CC=C(C=C1)S(=O)(=O)NCCCN2C(=C(C(=N2)C(F)(F)F)Br)C

InChI

InChI=1S/C17H21BrF3N3O2S/c1-3-5-13-6-8-14(9-7-13)27(25,26)22-10-4-11-24-12(2)15(18)16(23-24)17(19,20)21/h6-9,22H,3-5,10-11H2,1-2H3