3-[4-[[5-bromanyl-4-propan-2-yl-2-(trifluoromethyl)phenyl]sulfonylamino]piperidin-1-yl]sulfonylbenzoic acid

Systemtic Name: 3-[4-[[5-bromanyl-4-propan-2-yl-2-(trifluoromethyl)phenyl]sulfonylamino]piperidin-1-yl]sulfonylbenzoic acid Openeye Name: 3-[[4-[[5-bromo-4-isopropyl-2-(trifluoromethyl)phenyl]sulfonylamino]-1-piperidyl]sulfonyl]benzoic acid CAS Name: 3-[[4-[[5-bromo-4-propan-2-yl-2-(trifluoromethyl)phenyl]sulfonylamino]-1-piperidinyl]sulfonyl]benzoic acid IUPAC Name: 3-[4-[[5-bromo-4-propan-2-yl-2-(trifluoromethyl)phenyl]sulfonylamino]piperidin-1-yl]sulfonylbenzoic acid Traditional Name: 3-[4-[[5-bromo-4-isopropyl-2-(trifluoromethyl)phenyl]sulfonylamino]piperidino]sulfonylbenzoic acid Formula: C22H24BrF3N2O6S2 MolecularWeight: 613.46497

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=C(C=C(C(=C1)C(F)(F)F)S(=O)(=O)NC2CCN(CC2)S(=O)(=O)C3=CC=CC(=C3)C(=O)O)Br

Isomeric SMILES

CC(C)C1=C(C=C(C(=C1)C(F)(F)F)S(=O)(=O)NC2CCN(CC2)S(=O)(=O)C3=CC=CC(=C3)C(=O)O)Br

InChI

InChI=1S/C22H24BrF3N2O6S2/c1-13(2)17-11-18(22(24,25)26)20(12-19(17)23)35(31,32)27-15-6-8-28(9-7-15)36(33,34)16-5-3-4-14(10-16)21(29)30/h3-5,10-13,15,27H,6-9H2,1-2H3,(H,29,30)