4-[3,3-bis(hydroxymethyl)-5-pyridin-4-yl-cyclopenta-1,4-dien-1-yl]benzenesulfonamide

Systemtic Name: 4-[3,3-bis(hydroxymethyl)-5-pyridin-4-yl-cyclopenta-1,4-dien-1-yl]benzenesulfonamide Openeye Name: 4-[3,3-bis(hydroxymethyl)-5-(4-pyridyl)cyclopenta-1,4-dien-1-yl]benzenesulfonamide CAS Name: 4-[3,3-bis(hydroxymethyl)-5-pyridin-4-yl-1-cyclopenta-1,4-dienyl]benzenesulfonamide IUPAC Name: 4-[3,3-bis(hydroxymethyl)-5-pyridin-4-ylcyclopenta-1,4-dien-1-yl]benzenesulfonamide Traditional Name: 4-[3,3-dimethylol-5-(4-pyridyl)cyclopenta-1,4-dien-1-yl]benzenesulfonamide Formula: C18H18N2O4S MolecularWeight: 358.41152

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2=CC(C=C2C3=CC=NC=C3)(CO)CO)S(=O)(=O)N

Isomeric SMILES

C1=CC(=CC=C1C2=CC(C=C2C3=CC=NC=C3)(CO)CO)S(=O)(=O)N

InChI

InChI=1S/C18H18N2O4S/c19-25(23,24)15-3-1-13(2-4-15)16-9-18(11-21,12-22)10-17(16)14-5-7-20-8-6-14/h1-10,21-22H,11-12H2,(H2,19,23,24)