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

Systemtic Name: [4-chloranyl-2-[(oxolan-2-ylmethylamino)methyl]phenyl] methanesulfonate Openeye Name: [4-chloro-2-[(tetrahydrofuran-2-ylmethylamino)methyl]phenyl] methanesulfonate CAS Name: methanesulfonic acid [4-chloro-2-[(2-oxolanylmethylamino)methyl]phenyl] ester IUPAC Name: [4-chloro-2-[(oxolan-2-ylmethylamino)methyl]phenyl] methanesulfonate Traditional Name: methanesulfonic acid [4-chloro-2-[(tetrahydrofurfurylamino)methyl]phenyl] ester Formula: C13H18ClNO4S MolecularWeight: 319.80432

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H18ClNO4S/c1-20(16,17)19-13-5-4-11(14)7-10(13)8-15-9-12-3-2-6-18-12/h4-5,7,12,15H,2-3,6,8-9H2,1H3