4-[3-(piperidin-4-ylsulfamoyl)-4-(trifluoromethyl)indol-1-yl]sulfonylbenzoic acid

Systemtic Name: 4-[3-(piperidin-4-ylsulfamoyl)-4-(trifluoromethyl)indol-1-yl]sulfonylbenzoic acid Openeye Name: 4-[3-(4-piperidylsulfamoyl)-4-(trifluoromethyl)indol-1-yl]sulfonylbenzoic acid CAS Name: 4-[[3-(4-piperidinylsulfamoyl)-4-(trifluoromethyl)-1-indolyl]sulfonyl]benzoic acid IUPAC Name: 4-[3-(piperidin-4-ylsulfamoyl)-4-(trifluoromethyl)indol-1-yl]sulfonylbenzoic acid Traditional Name: 4-[3-(4-piperidylsulfamoyl)-4-(trifluoromethyl)indol-1-yl]sulfonylbenzoic acid Formula: C21H20F3N3O6S2 MolecularWeight: 531.52521

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCCC1NS(=O)(=O)C2=CN(C3=CC=CC(=C32)C(F)(F)F)S(=O)(=O)C4=CC=C(C=C4)C(=O)O

Isomeric SMILES

C1CNCCC1NS(=O)(=O)C2=CN(C3=CC=CC(=C32)C(F)(F)F)S(=O)(=O)C4=CC=C(C=C4)C(=O)O

InChI

InChI=1S/C21H20F3N3O6S2/c22-21(23,24)16-2-1-3-17-19(16)18(34(30,31)26-14-8-10-25-11-9-14)12-27(17)35(32,33)15-6-4-13(5-7-15)20(28)29/h1-7,12,14,25-26H,8-11H2,(H,28,29)