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

Systemtic Name: [3-[[ethanoyl(furan-2-ylmethyl)amino]methyl]phenyl] 4-methoxybenzenesulfonate Openeye Name: [3-[[acetyl(2-furylmethyl)amino]methyl]phenyl] 4-methoxybenzenesulfonate CAS Name: 4-methoxybenzenesulfonic acid [3-[[acetyl(2-furanylmethyl)amino]methyl]phenyl] ester IUPAC Name: [3-[[acetyl(furan-2-ylmethyl)amino]methyl]phenyl] 4-methoxybenzenesulfonate Traditional Name: 4-methoxybenzenesulfonic acid [3-[[acetyl(2-furfuryl)amino]methyl]phenyl] ester Formula: C21H21NO6S MolecularWeight: 415.45954

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N(CC1=CC(=CC=C1)OS(=O)(=O)C2=CC=C(C=C2)OC)CC3=CC=CO3

Isomeric SMILES

CC(=O)N(CC1=CC(=CC=C1)OS(=O)(=O)C2=CC=C(C=C2)OC)CC3=CC=CO3

InChI

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