N-(2-methylpropyl)-4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]sulfonyl-benzenesulfonamide

Systemtic Name: N-(2-methylpropyl)-4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]sulfonyl-benzenesulfonamide Openeye Name: N-isobutyl-4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]sulfonyl-benzenesulfonamide CAS Name: N-(2-methylpropyl)-4-[[4-[3-(trifluoromethyl)phenyl]-1-piperazinyl]sulfonyl]benzenesulfonamide IUPAC Name: N-(2-methylpropyl)-4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]sulfonylbenzenesulfonamide Traditional Name: N-isobutyl-4-[4-[3-(trifluoromethyl)phenyl]piperazino]sulfonyl-benzenesulfonamide Formula: C21H26F3N3O4S2 MolecularWeight: 505.57405

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CNS(=O)(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C3=CC=CC(=C3)C(F)(F)F

Isomeric SMILES

CC(C)CNS(=O)(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C3=CC=CC(=C3)C(F)(F)F

InChI

InChI=1S/C21H26F3N3O4S2/c1-16(2)15-25-32(28,29)19-6-8-20(9-7-19)33(30,31)27-12-10-26(11-13-27)18-5-3-4-17(14-18)21(22,23)24/h3-9,14,16,25H,10-13,15H2,1-2H3