[3-[[furan-2-ylmethyl(naphthalen-2-ylcarbonyl)amino]methyl]phenyl] ethanesulfonate

Systemtic Name: [3-[[furan-2-ylmethyl(naphthalen-2-ylcarbonyl)amino]methyl]phenyl] ethanesulfonate Openeye Name: [3-[[2-furylmethyl(naphthalene-2-carbonyl)amino]methyl]phenyl] ethanesulfonate CAS Name: ethanesulfonic acid [3-[[2-furanylmethyl-[2-naphthalenyl(oxo)methyl]amino]methyl]phenyl] ester IUPAC Name: [3-[[furan-2-ylmethyl(naphthalene-2-carbonyl)amino]methyl]phenyl] ethanesulfonate Traditional Name: ethanesulfonic acid [3-[[2-furfuryl(2-naphthoyl)amino]methyl]phenyl] ester Formula: C25H23NO5S MolecularWeight: 449.51882

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)OC1=CC=CC(=C1)CN(CC2=CC=CO2)C(=O)C3=CC4=CC=CC=C4C=C3

Isomeric SMILES

CCS(=O)(=O)OC1=CC=CC(=C1)CN(CC2=CC=CO2)C(=O)C3=CC4=CC=CC=C4C=C3

InChI

InChI=1S/C25H23NO5S/c1-2-32(28,29)31-23-10-5-7-19(15-23)17-26(18-24-11-6-14-30-24)25(27)22-13-12-20-8-3-4-9-21(20)16-22/h3-16H,2,17-18H2,1H3