2-[[2-(phenylcarbonyl)-2H-pyridin-1-yl]methyl]benzenesulfonic acid

Systemtic Name: 2-[[2-(phenylcarbonyl)-2H-pyridin-1-yl]methyl]benzenesulfonic acid Openeye Name: 2-[(2-benzoyl-2H-pyridin-1-yl)methyl]benzenesulfonic acid CAS Name: 2-[(2-benzoyl-2H-pyridin-1-yl)methyl]benzenesulfonic acid IUPAC Name: 2-[(2-benzoyl-2H-pyridin-1-yl)methyl]benzenesulfonic acid Traditional Name: 2-[(2-benzoyl-2H-pyridin-1-yl)methyl]besylic acid Formula: C19H17NO4S MolecularWeight: 355.40758

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)C2C=CC=CN2CC3=CC=CC=C3S(=O)(=O)O

Isomeric SMILES

C1=CC=C(C=C1)C(=O)C2C=CC=CN2CC3=CC=CC=C3S(=O)(=O)O

InChI

InChI=1S/C19H17NO4S/c21-19(15-8-2-1-3-9-15)17-11-6-7-13-20(17)14-16-10-4-5-12-18(16)25(22,23)24/h1-13,17H,14H2,(H,22,23,24)