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

Systemtic Name: [4-[[tert-butylcarbamoyl(furan-2-ylmethyl)amino]methyl]phenyl] propane-2-sulfonate Openeye Name: [4-[[tert-butylcarbamoyl(2-furylmethyl)amino]methyl]phenyl] propane-2-sulfonate CAS Name: 2-propanesulfonic acid IUPAC Name: [4-[[tert-butylcarbamoyl(furan-2-ylmethyl)amino]methyl]phenyl] propane-2-sulfonate Traditional Name: propane-2-sulfonic acid [4-[[tert-butylcarbamoyl(2-furfuryl)amino]methyl]phenyl] ester Formula: C20H28N2O5S MolecularWeight: 408.51172

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H28N2O5S/c1-15(2)28(24,25)27-17-10-8-16(9-11-17)13-22(14-18-7-6-12-26-18)19(23)21-20(3,4)5/h6-12,15H,13-14H2,1-5H3,(H,21,23)