2-[2-methyl-5-[2-propan-2-yl-4-[5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]sulfonyl-phenyl]ethanoic acid

Systemtic Name: 2-[2-methyl-5-[2-propan-2-yl-4-[5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]sulfonyl-phenyl]ethanoic acid Openeye Name: 2-[5-[2-isopropyl-4-[5-(trifluoromethyl)-2-pyridyl]piperazin-1-yl]sulfonyl-2-methyl-phenyl]acetic acid CAS Name: 2-[2-methyl-5-[[2-propan-2-yl-4-[5-(trifluoromethyl)-2-pyridinyl]-1-piperazinyl]sulfonyl]phenyl]acetic acid IUPAC Name: 2-[2-methyl-5-[2-propan-2-yl-4-[5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]sulfonylphenyl]acetic acid Traditional Name: 2-[5-[2-isopropyl-4-[5-(trifluoromethyl)-2-pyridyl]piperazino]sulfonyl-2-methyl-phenyl]acetic acid Formula: C22H26F3N3O4S MolecularWeight: 485.51975

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2C(C)C)C3=NC=C(C=C3)C(F)(F)F)CC(=O)O

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2C(C)C)C3=NC=C(C=C3)C(F)(F)F)CC(=O)O

InChI

InChI=1S/C22H26F3N3O4S/c1-14(2)19-13-27(20-7-5-17(12-26-20)22(23,24)25)8-9-28(19)33(31,32)18-6-4-15(3)16(10-18)11-21(29)30/h4-7,10,12,14,19H,8-9,11,13H2,1-3H3,(H,29,30)