[5-[[ethanoyl(oxolan-2-ylmethyl)amino]methyl]-2-methoxy-phenyl] propane-2-sulfonate

Systemtic Name: [5-[[ethanoyl(oxolan-2-ylmethyl)amino]methyl]-2-methoxy-phenyl] propane-2-sulfonate Openeye Name: [5-[[acetyl(tetrahydrofuran-2-ylmethyl)amino]methyl]-2-methoxy-phenyl] propane-2-sulfonate CAS Name: 2-propanesulfonic acid IUPAC Name: [5-[[acetyl(oxolan-2-ylmethyl)amino]methyl]-2-methoxyphenyl] propane-2-sulfonate Traditional Name: propane-2-sulfonic acid [5-[[acetyl(tetrahydrofurfuryl)amino]methyl]-2-methoxy-phenyl] ester Formula: C18H27NO6S MolecularWeight: 385.47508

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)S(=O)(=O)OC1=C(C=CC(=C1)CN(CC2CCCO2)C(=O)C)OC

Isomeric SMILES

CC(C)S(=O)(=O)OC1=C(C=CC(=C1)CN(CC2CCCO2)C(=O)C)OC

InChI

InChI=1S/C18H27NO6S/c1-13(2)26(21,22)25-18-10-15(7-8-17(18)23-4)11-19(14(3)20)12-16-6-5-9-24-16/h7-8,10,13,16H,5-6,9,11-12H2,1-4H3