N-[2-[4-(3-methylbutanoyl)piperazin-1-yl]carbonylphenyl]-3-(trifluoromethyl)benzenesulfonamide

Systemtic Name: N-[2-[4-(3-methylbutanoyl)piperazin-1-yl]carbonylphenyl]-3-(trifluoromethyl)benzenesulfonamide Openeye Name: N-[2-[4-(3-methylbutanoyl)piperazine-1-carbonyl]phenyl]-3-(trifluoromethyl)benzenesulfonamide CAS Name: N-[2-[[4-(3-methyl-1-oxobutyl)-1-piperazinyl]-oxomethyl]phenyl]-3-(trifluoromethyl)benzenesulfonamide IUPAC Name: N-[2-[4-(3-methylbutanoyl)piperazine-1-carbonyl]phenyl]-3-(trifluoromethyl)benzenesulfonamide Traditional Name: N-[2-(4-isovalerylpiperazine-1-carbonyl)phenyl]-3-(trifluoromethyl)benzenesulfonamide Formula: C23H26F3N3O4S MolecularWeight: 497.53045

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)N1CCN(CC1)C(=O)C2=CC=CC=C2NS(=O)(=O)C3=CC=CC(=C3)C(F)(F)F

Isomeric SMILES

CC(C)CC(=O)N1CCN(CC1)C(=O)C2=CC=CC=C2NS(=O)(=O)C3=CC=CC(=C3)C(F)(F)F

InChI

InChI=1S/C23H26F3N3O4S/c1-16(2)14-21(30)28-10-12-29(13-11-28)22(31)19-8-3-4-9-20(19)27-34(32,33)18-7-5-6-17(15-18)23(24,25)26/h3-9,15-16,27H,10-14H2,1-2H3