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

Systemtic Name: [3-[[furan-2-ylmethyl-(3-methoxyphenyl)carbonyl-amino]methyl]phenyl] ethanesulfonate Openeye Name: [3-[[2-furylmethyl-(3-methoxybenzoyl)amino]methyl]phenyl] ethanesulfonate CAS Name: ethanesulfonic acid [3-[[2-furanylmethyl-[(3-methoxyphenyl)-oxomethyl]amino]methyl]phenyl] ester IUPAC Name: [3-[[furan-2-ylmethyl-(3-methoxybenzoyl)amino]methyl]phenyl] ethanesulfonate Traditional Name: ethanesulfonic acid [3-[[2-furfuryl(m-anisoyl)amino]methyl]phenyl] ester Formula: C22H23NO6S MolecularWeight: 429.48612

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)OC1=CC=CC(=C1)CN(CC2=CC=CO2)C(=O)C3=CC(=CC=C3)OC

Isomeric SMILES

CCS(=O)(=O)OC1=CC=CC(=C1)CN(CC2=CC=CO2)C(=O)C3=CC(=CC=C3)OC

InChI

InChI=1S/C22H23NO6S/c1-3-30(25,26)29-20-10-4-7-17(13-20)15-23(16-21-11-6-12-28-21)22(24)18-8-5-9-19(14-18)27-2/h4-14H,3,15-16H2,1-2H3