[4-[[(2,4-dimethoxyphenyl)carbonyl-(furan-2-ylmethyl)amino]methyl]phenyl] methanesulfonate

Systemtic Name: [4-[[(2,4-dimethoxyphenyl)carbonyl-(furan-2-ylmethyl)amino]methyl]phenyl] methanesulfonate Openeye Name: [4-[[(2,4-dimethoxybenzoyl)-(2-furylmethyl)amino]methyl]phenyl] methanesulfonate CAS Name: methanesulfonic acid [4-[[[(2,4-dimethoxyphenyl)-oxomethyl]-(2-furanylmethyl)amino]methyl]phenyl] ester IUPAC Name: [4-[[(2,4-dimethoxybenzoyl)-(furan-2-ylmethyl)amino]methyl]phenyl] methanesulfonate Traditional Name: methanesulfonic acid [4-[[(2,4-dimethoxybenzoyl)-(2-furfuryl)amino]methyl]phenyl] ester Formula: C22H23NO7S MolecularWeight: 445.48552

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H23NO7S/c1-27-18-10-11-20(21(13-18)28-2)22(24)23(15-19-5-4-12-29-19)14-16-6-8-17(9-7-16)30-31(3,25)26/h4-13H,14-15H2,1-3H3