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

Systemtic Name: [4-[[furan-2-ylmethyl(2-methylpropanoyl)amino]methyl]phenyl] propane-2-sulfonate Openeye Name: [4-[[2-furylmethyl(2-methylpropanoyl)amino]methyl]phenyl] propane-2-sulfonate CAS Name: 2-propanesulfonic acid IUPAC Name: [4-[[furan-2-ylmethyl(2-methylpropanoyl)amino]methyl]phenyl] propane-2-sulfonate Traditional Name: propane-2-sulfonic acid [4-[[2-furfuryl(isobutyryl)amino]methyl]phenyl] ester Formula: C19H25NO5S MolecularWeight: 379.4705

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)N(CC1=CC=C(C=C1)OS(=O)(=O)C(C)C)CC2=CC=CO2

Isomeric SMILES

CC(C)C(=O)N(CC1=CC=C(C=C1)OS(=O)(=O)C(C)C)CC2=CC=CO2

InChI

InChI=1S/C19H25NO5S/c1-14(2)19(21)20(13-18-6-5-11-24-18)12-16-7-9-17(10-8-16)25-26(22,23)15(3)4/h5-11,14-15H,12-13H2,1-4H3