[2-[[ethanoyl(furan-2-ylmethyl)amino]methyl]phenyl] 4-methoxybenzenesulfonate

Systemtic Name: [2-[[ethanoyl(furan-2-ylmethyl)amino]methyl]phenyl] 4-methoxybenzenesulfonate Openeye Name: [2-[[acetyl(2-furylmethyl)amino]methyl]phenyl] 4-methoxybenzenesulfonate CAS Name: 4-methoxybenzenesulfonic acid [2-[[acetyl(2-furanylmethyl)amino]methyl]phenyl] ester IUPAC Name: [2-[[acetyl(furan-2-ylmethyl)amino]methyl]phenyl] 4-methoxybenzenesulfonate Traditional Name: 4-methoxybenzenesulfonic acid [2-[[acetyl(2-furfuryl)amino]methyl]phenyl] ester Formula: C21H21NO6S MolecularWeight: 415.45954

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N(CC1=CC=CC=C1OS(=O)(=O)C2=CC=C(C=C2)OC)CC3=CC=CO3

Isomeric SMILES

CC(=O)N(CC1=CC=CC=C1OS(=O)(=O)C2=CC=C(C=C2)OC)CC3=CC=CO3

InChI

InChI=1S/C21H21NO6S/c1-16(23)22(15-19-7-5-13-27-19)14-17-6-3-4-8-21(17)28-29(24,25)20-11-9-18(26-2)10-12-20/h3-13H,14-15H2,1-2H3