[4-[[(2,6-dimethoxyphenyl)carbonyl-(furan-2-ylmethyl)amino]methyl]phenyl] methanesulfonate

Systemtic Name: [4-[[(2,6-dimethoxyphenyl)carbonyl-(furan-2-ylmethyl)amino]methyl]phenyl] methanesulfonate Openeye Name: [4-[[(2,6-dimethoxybenzoyl)-(2-furylmethyl)amino]methyl]phenyl] methanesulfonate CAS Name: methanesulfonic acid [4-[[[(2,6-dimethoxyphenyl)-oxomethyl]-(2-furanylmethyl)amino]methyl]phenyl] ester IUPAC Name: [4-[[(2,6-dimethoxybenzoyl)-(furan-2-ylmethyl)amino]methyl]phenyl] methanesulfonate Traditional Name: methanesulfonic acid [4-[[(2,6-dimethoxybenzoyl)-(2-furfuryl)amino]methyl]phenyl] ester Formula: C22H23NO7S MolecularWeight: 445.48552

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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