1-[6-phenyl-5-(3-sulfamoylphenyl)-2-(trifluoromethyl)pyrimidin-4-yl]piperidine-4-carboxylic acid

Systemtic Name: 1-[6-phenyl-5-(3-sulfamoylphenyl)-2-(trifluoromethyl)pyrimidin-4-yl]piperidine-4-carboxylic acid Openeye Name: 1-[6-phenyl-5-(3-sulfamoylphenyl)-2-(trifluoromethyl)pyrimidin-4-yl]piperidine-4-carboxylic acid CAS Name: 1-[6-phenyl-5-(3-sulfamoylphenyl)-2-(trifluoromethyl)-4-pyrimidinyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[6-phenyl-5-(3-sulfamoylphenyl)-2-(trifluoromethyl)pyrimidin-4-yl]piperidine-4-carboxylic acid Traditional Name: 1-[6-phenyl-5-(3-sulfamoylphenyl)-2-(trifluoromethyl)pyrimidin-4-yl]isonipecotic acid Formula: C23H21F3N4O4S MolecularWeight: 506.49745

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)O)C2=NC(=NC(=C2C3=CC(=CC=C3)S(=O)(=O)N)C4=CC=CC=C4)C(F)(F)F

Isomeric SMILES

C1CN(CCC1C(=O)O)C2=NC(=NC(=C2C3=CC(=CC=C3)S(=O)(=O)N)C4=CC=CC=C4)C(F)(F)F

InChI

InChI=1S/C23H21F3N4O4S/c24-23(25,26)22-28-19(14-5-2-1-3-6-14)18(16-7-4-8-17(13-16)35(27,33)34)20(29-22)30-11-9-15(10-12-30)21(31)32/h1-8,13,15H,9-12H2,(H,31,32)(H2,27,33,34)