[2-methoxy-5-[(oxolan-2-ylmethylamino)methyl]phenyl] 4-methoxybenzenesulfonate

Systemtic Name: [2-methoxy-5-[(oxolan-2-ylmethylamino)methyl]phenyl] 4-methoxybenzenesulfonate Openeye Name: [2-methoxy-5-[(tetrahydrofuran-2-ylmethylamino)methyl]phenyl] 4-methoxybenzenesulfonate CAS Name: 4-methoxybenzenesulfonic acid [2-methoxy-5-[(2-oxolanylmethylamino)methyl]phenyl] ester IUPAC Name: [2-methoxy-5-[(oxolan-2-ylmethylamino)methyl]phenyl] 4-methoxybenzenesulfonate Traditional Name: 4-methoxybenzenesulfonic acid [2-methoxy-5-[(tetrahydrofurfurylamino)methyl]phenyl] ester Formula: C20H25NO6S MolecularWeight: 407.4806

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)S(=O)(=O)OC2=C(C=CC(=C2)CNCC3CCCO3)OC

Isomeric SMILES

COC1=CC=C(C=C1)S(=O)(=O)OC2=C(C=CC(=C2)CNCC3CCCO3)OC

InChI

InChI=1S/C20H25NO6S/c1-24-16-6-8-18(9-7-16)28(22,23)27-20-12-15(5-10-19(20)25-2)13-21-14-17-4-3-11-26-17/h5-10,12,17,21H,3-4,11,13-14H2,1-2H3