[3-[(furan-2-ylmethylamino)methyl]phenyl] 4-methoxybenzenesulfonate

Systemtic Name: [3-[(furan-2-ylmethylamino)methyl]phenyl] 4-methoxybenzenesulfonate Openeye Name: [3-[(2-furylmethylamino)methyl]phenyl] 4-methoxybenzenesulfonate CAS Name: 4-methoxybenzenesulfonic acid [3-[(2-furanylmethylamino)methyl]phenyl] ester IUPAC Name: [3-[(furan-2-ylmethylamino)methyl]phenyl] 4-methoxybenzenesulfonate Traditional Name: 4-methoxybenzenesulfonic acid [3-[(2-furfurylamino)methyl]phenyl] ester Formula: C19H19NO5S MolecularWeight: 373.42286

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)S(=O)(=O)OC2=CC=CC(=C2)CNCC3=CC=CO3

Isomeric SMILES

COC1=CC=C(C=C1)S(=O)(=O)OC2=CC=CC(=C2)CNCC3=CC=CO3

InChI

InChI=1S/C19H19NO5S/c1-23-16-7-9-19(10-8-16)26(21,22)25-17-5-2-4-15(12-17)13-20-14-18-6-3-11-24-18/h2-12,20H,13-14H2,1H3