[5-[[tert-butylcarbamoyl(furan-2-ylmethyl)amino]methyl]-2-methoxy-phenyl] ethanesulfonate

Systemtic Name: [5-[[tert-butylcarbamoyl(furan-2-ylmethyl)amino]methyl]-2-methoxy-phenyl] ethanesulfonate Openeye Name: [5-[[tert-butylcarbamoyl(2-furylmethyl)amino]methyl]-2-methoxy-phenyl] ethanesulfonate CAS Name: ethanesulfonic acid [5-[[[(tert-butylamino)-oxomethyl]-(2-furanylmethyl)amino]methyl]-2-methoxyphenyl] ester IUPAC Name: [5-[[tert-butylcarbamoyl(furan-2-ylmethyl)amino]methyl]-2-methoxyphenyl] ethanesulfonate Traditional Name: ethanesulfonic acid [5-[[tert-butylcarbamoyl(2-furfuryl)amino]methyl]-2-methoxy-phenyl] ester Formula: C20H28N2O6S MolecularWeight: 424.51112

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H28N2O6S/c1-6-29(24,25)28-18-12-15(9-10-17(18)26-5)13-22(14-16-8-7-11-27-16)19(23)21-20(2,3)4/h7-12H,6,13-14H2,1-5H3,(H,21,23)