6-[[3-(4-methylsulfonylphenoxy)-5-propan-2-yloxy-phenyl]carbonylamino]pyridine-3-carboxylic acid

Systemtic Name: 6-[[3-(4-methylsulfonylphenoxy)-5-propan-2-yloxy-phenyl]carbonylamino]pyridine-3-carboxylic acid Openeye Name: 6-[[3-isopropoxy-5-(4-methylsulfonylphenoxy)benzoyl]amino]pyridine-3-carboxylic acid CAS Name: 6-[[[3-(4-methylsulfonylphenoxy)-5-propan-2-yloxyphenyl]-oxomethyl]amino]-3-pyridinecarboxylic acid IUPAC Name: 6-[[3-(4-methylsulfonylphenoxy)-5-propan-2-yloxybenzoyl]amino]pyridine-3-carboxylic acid Traditional Name: 6-[[3-isopropoxy-5-(4-mesylphenoxy)benzoyl]amino]nicotinic acid Formula: C23H22N2O7S MolecularWeight: 470.49498

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=CC(=CC(=C1)OC2=CC=C(C=C2)S(=O)(=O)C)C(=O)NC3=NC=C(C=C3)C(=O)O

Isomeric SMILES

CC(C)OC1=CC(=CC(=C1)OC2=CC=C(C=C2)S(=O)(=O)C)C(=O)NC3=NC=C(C=C3)C(=O)O

InChI

InChI=1S/C23H22N2O7S/c1-14(2)31-18-10-16(22(26)25-21-9-4-15(13-24-21)23(27)28)11-19(12-18)32-17-5-7-20(8-6-17)33(3,29)30/h4-14H,1-3H3,(H,27,28)(H,24,25,26)