[3-[[furan-2-ylcarbonyl(2-methylpropyl)amino]methyl]phenyl] propane-2-sulfonate

Systemtic Name: [3-[[furan-2-ylcarbonyl(2-methylpropyl)amino]methyl]phenyl] propane-2-sulfonate Openeye Name: [3-[[furan-2-carbonyl(isobutyl)amino]methyl]phenyl] propane-2-sulfonate CAS Name: 2-propanesulfonic acid IUPAC Name: [3-[[furan-2-carbonyl(2-methylpropyl)amino]methyl]phenyl] propane-2-sulfonate Traditional Name: propane-2-sulfonic acid [3-[[2-furoyl(isobutyl)amino]methyl]phenyl] ester Formula: C19H25NO5S MolecularWeight: 379.4705

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN(CC1=CC(=CC=C1)OS(=O)(=O)C(C)C)C(=O)C2=CC=CO2

Isomeric SMILES

CC(C)CN(CC1=CC(=CC=C1)OS(=O)(=O)C(C)C)C(=O)C2=CC=CO2

InChI

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