phenyl 2-quinolin-2-ylsulfanylethanesulfonate

Systemtic Name: phenyl 2-quinolin-2-ylsulfanylethanesulfonate Openeye Name: phenyl 2-(2-quinolylsulfanyl)ethanesulfonate CAS Name: 2-(2-quinolinylthio)ethanesulfonic acid phenyl ester IUPAC Name: phenyl 2-quinolin-2-ylsulfanylethanesulfonate Traditional Name: 2-(2-quinolylthio)ethanesulfonic acid phenyl ester Formula: C17H15NO3S2 MolecularWeight: 345.4359

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OS(=O)(=O)CCSC2=NC3=CC=CC=C3C=C2

Isomeric SMILES

C1=CC=C(C=C1)OS(=O)(=O)CCSC2=NC3=CC=CC=C3C=C2

InChI

InChI=1S/C17H15NO3S2/c19-23(20,21-15-7-2-1-3-8-15)13-12-22-17-11-10-14-6-4-5-9-16(14)18-17/h1-11H,12-13H2