[3-[[furan-2-ylmethyl-(4-methoxyphenyl)carbonyl-amino]methyl]phenyl] methanesulfonate

Systemtic Name: [3-[[furan-2-ylmethyl-(4-methoxyphenyl)carbonyl-amino]methyl]phenyl] methanesulfonate Openeye Name: [3-[[2-furylmethyl-(4-methoxybenzoyl)amino]methyl]phenyl] methanesulfonate CAS Name: methanesulfonic acid [3-[[2-furanylmethyl-[(4-methoxyphenyl)-oxomethyl]amino]methyl]phenyl] ester IUPAC Name: [3-[[furan-2-ylmethyl-(4-methoxybenzoyl)amino]methyl]phenyl] methanesulfonate Traditional Name: methanesulfonic acid [3-[[2-furfuryl(p-anisoyl)amino]methyl]phenyl] ester Formula: C21H21NO6S MolecularWeight: 415.45954

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(=O)N(CC2=CC(=CC=C2)OS(=O)(=O)C)CC3=CC=CO3

Isomeric SMILES

COC1=CC=C(C=C1)C(=O)N(CC2=CC(=CC=C2)OS(=O)(=O)C)CC3=CC=CO3

InChI

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