[3-[[furan-2-ylmethyl(3-methylbutanoyl)amino]methyl]phenyl] propane-2-sulfonate

Systemtic Name: [3-[[furan-2-ylmethyl(3-methylbutanoyl)amino]methyl]phenyl] propane-2-sulfonate Openeye Name: [3-[[2-furylmethyl(3-methylbutanoyl)amino]methyl]phenyl] propane-2-sulfonate CAS Name: 2-propanesulfonic acid IUPAC Name: [3-[[furan-2-ylmethyl(3-methylbutanoyl)amino]methyl]phenyl] propane-2-sulfonate Traditional Name: propane-2-sulfonic acid [3-[[2-furfuryl(isovaleryl)amino]methyl]phenyl] ester Formula: C20H27NO5S MolecularWeight: 393.49708

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H27NO5S/c1-15(2)11-20(22)21(14-19-9-6-10-25-19)13-17-7-5-8-18(12-17)26-27(23,24)16(3)4/h5-10,12,15-16H,11,13-14H2,1-4H3