[4-[[2-methoxyethanoyl(oxolan-2-ylmethyl)amino]methyl]phenyl] propane-2-sulfonate

Systemtic Name: [4-[[2-methoxyethanoyl(oxolan-2-ylmethyl)amino]methyl]phenyl] propane-2-sulfonate Openeye Name: [4-[[(2-methoxyacetyl)-(tetrahydrofuran-2-ylmethyl)amino]methyl]phenyl] propane-2-sulfonate CAS Name: 2-propanesulfonic acid IUPAC Name: [4-[[(2-methoxyacetyl)-(oxolan-2-ylmethyl)amino]methyl]phenyl] propane-2-sulfonate Traditional Name: propane-2-sulfonic acid [4-[[(2-methoxyacetyl)-(tetrahydrofurfuryl)amino]methyl]phenyl] ester Formula: C18H27NO6S MolecularWeight: 385.47508

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H27NO6S/c1-14(2)26(21,22)25-16-8-6-15(7-9-16)11-19(18(20)13-23-3)12-17-5-4-10-24-17/h6-9,14,17H,4-5,10-13H2,1-3H3