[4-chloranyl-2-[(oxolan-2-ylmethylamino)methyl]phenyl] ethanesulfonate

Systemtic Name: [4-chloranyl-2-[(oxolan-2-ylmethylamino)methyl]phenyl] ethanesulfonate Openeye Name: [4-chloro-2-[(tetrahydrofuran-2-ylmethylamino)methyl]phenyl] ethanesulfonate CAS Name: ethanesulfonic acid [4-chloro-2-[(2-oxolanylmethylamino)methyl]phenyl] ester IUPAC Name: [4-chloro-2-[(oxolan-2-ylmethylamino)methyl]phenyl] ethanesulfonate Traditional Name: ethanesulfonic acid [4-chloro-2-[(tetrahydrofurfurylamino)methyl]phenyl] ester Formula: C14H20ClNO4S MolecularWeight: 333.8309

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)OC1=C(C=C(C=C1)Cl)CNCC2CCCO2

Isomeric SMILES

CCS(=O)(=O)OC1=C(C=C(C=C1)Cl)CNCC2CCCO2

InChI

InChI=1S/C14H20ClNO4S/c1-2-21(17,18)20-14-6-5-12(15)8-11(14)9-16-10-13-4-3-7-19-13/h5-6,8,13,16H,2-4,7,9-10H2,1H3