(2,4-dichlorophenyl)methyl 2-oxidanyl-2-pyridin-3-yl-propane-1-sulfonate

Systemtic Name: (2,4-dichlorophenyl)methyl 2-oxidanyl-2-pyridin-3-yl-propane-1-sulfonate Openeye Name: (2,4-dichlorophenyl)methyl 2-hydroxy-2-(3-pyridyl)propane-1-sulfonate CAS Name: 2-hydroxy-2-(3-pyridinyl)-1-propanesulfonic acid IUPAC Name: (2,4-dichlorophenyl)methyl 2-hydroxy-2-pyridin-3-ylpropane-1-sulfonate Traditional Name: 2-hydroxy-2-(3-pyridyl)propane-1-sulfonic acid (2,4-dichlorobenzyl) ester Formula: C15H15Cl2NO4S MolecularWeight: 376.2549

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Descriptors Computed from Structure

Canonical SMILES:

CC(CS(=O)(=O)OCC1=C(C=C(C=C1)Cl)Cl)(C2=CN=CC=C2)O

Isomeric SMILES

CC(CS(=O)(=O)OCC1=C(C=C(C=C1)Cl)Cl)(C2=CN=CC=C2)O

InChI

InChI=1S/C15H15Cl2NO4S/c1-15(19,12-3-2-6-18-8-12)10-23(20,21)22-9-11-4-5-13(16)7-14(11)17/h2-8,19H,9-10H2,1H3