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

Systemtic Name: [4-[[tert-butylcarbamoyl(furan-2-ylmethyl)amino]methyl]phenyl] ethanesulfonate Openeye Name: [4-[[tert-butylcarbamoyl(2-furylmethyl)amino]methyl]phenyl] ethanesulfonate CAS Name: ethanesulfonic acid [4-[[[(tert-butylamino)-oxomethyl]-(2-furanylmethyl)amino]methyl]phenyl] ester IUPAC Name: [4-[[tert-butylcarbamoyl(furan-2-ylmethyl)amino]methyl]phenyl] ethanesulfonate Traditional Name: ethanesulfonic acid [4-[[tert-butylcarbamoyl(2-furfuryl)amino]methyl]phenyl] ester Formula: C19H26N2O5S MolecularWeight: 394.48514

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H26N2O5S/c1-5-27(23,24)26-16-10-8-15(9-11-16)13-21(14-17-7-6-12-25-17)18(22)20-19(2,3)4/h6-12H,5,13-14H2,1-4H3,(H,20,22)