[3-[[[(2S)-butan-2-yl]-(furan-2-ylcarbonyl)amino]methyl]phenyl] propane-2-sulfonate

Systemtic Name: [3-[[[(2S)-butan-2-yl]-(furan-2-ylcarbonyl)amino]methyl]phenyl] propane-2-sulfonate Openeye Name: [3-[[furan-2-carbonyl-[(1S)-1-methylpropyl]amino]methyl]phenyl] propane-2-sulfonate CAS Name: 2-propanesulfonic acid IUPAC Name: [3-[[[(2S)-butan-2-yl]-(furan-2-carbonyl)amino]methyl]phenyl] propane-2-sulfonate Traditional Name: propane-2-sulfonic acid [3-[[2-furoyl-[(1S)-1-methylpropyl]amino]methyl]phenyl] ester Formula: C19H25NO5S MolecularWeight: 379.4705

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)N(CC1=CC(=CC=C1)OS(=O)(=O)C(C)C)C(=O)C2=CC=CO2

Isomeric SMILES

CC[C@H](C)N(CC1=CC(=CC=C1)OS(=O)(=O)C(C)C)C(=O)C2=CC=CO2

InChI

InChI=1S/C19H25NO5S/c1-5-15(4)20(19(21)18-10-7-11-24-18)13-16-8-6-9-17(12-16)25-26(22,23)14(2)3/h6-12,14-15H,5,13H2,1-4H3/t15-/m0/s1